Acetylene-d1
PubChem CID
137497
Structure
Molecular Formula
Synonyms
- Acetylene-d1
- deuterioethyne
- 2210-34-6
- deuteroacetylene
- Acetylene(d1)
Molecular Weight
27.04 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
deuterioethyne
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C2H2/c1-2/h1-2H/i1D
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
HSFWRNGVRCDJHI-MICDWDOJSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
[2H]C#C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C2H2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
27.04 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
0.4
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
27.0219268097 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
27.0219268097 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
2
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
8
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)
Colorless gas; May have odor like garlic; [C/D/N Isotopes MSDS]
Toxic Gases & Vapors -> Simple Asphyxiants
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Neurotoxin - Acute solvent syndrome
Other Poison - Simple Asphyxiant
Associated Occupational Diseases with Exposure to the Compound
Asphyxiation, simple [Category: Acute Poisoning]
Solvents, acute toxic effect [Category: Acute Poisoning]
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=HSFWRNGVRCDJHI-MICDWDOJSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxAcetylene-d1https://comptox.epa.gov/dashboard/DTXSID20176610CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Haz-Map, Information on Hazardous Chemicals and Occupational DiseasesLICENSECopyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.https://haz-map.com/AboutAcetylene-d1https://haz-map.com/Agents/13647
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBaseMonodeuteroacetylenehttps://spectrabase.com/spectrum/4KujygzSjrd
- Springer Nature
- WikidataAcetylene-d1https://www.wikidata.org/wiki/Q83046917
- PubChem
- PATENTSCOPE (WIPO)SID 404011660https://pubchem.ncbi.nlm.nih.gov/substance/404011660
- NCBI
CONTENTS