Methyl 4-chloro-3-hydroxybutanoate
PubChem CID
3629997
Structure
Molecular Formula
Synonyms
- methyl 4-chloro-3-hydroxybutanoate
- 10488-68-3
- methyl 4-chloro-3-hydroxybutyrate
- 4-Chloro-3-hydroxy-butyricacidmethylester
- 4-chloro-3-hydroxybutanoic acid methyl ester
Molecular Weight
152.57 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-09-09
- Modify:2025-01-04
Chemical Structure Depiction
methyl 4-chloro-3-hydroxybutanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C5H9ClO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3H2,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
WMRINGSAVOPXTE-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
COC(=O)CC(CCl)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C5H9ClO3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
10488-68-3
- methyl 4-chloro-3-hydroxybutanoate
- 10488-68-3
- methyl 4-chloro-3-hydroxybutyrate
- 4-Chloro-3-hydroxy-butyricacidmethylester
- 4-chloro-3-hydroxybutanoic acid methyl ester
- DTXSID30394469
- methyl 4-chloranyl-3-oxidanyl-butanoate
- 4-Chloro-3-hydroxy-butyric acid methyl ester
- SCHEMBL1691009
- DTXCID20345329
- methyl4-chloro-3-hydroxybutanoate
- WMRINGSAVOPXTE-UHFFFAOYSA-N
- BCP13432
- AKOS015909148
- AC-5621
- SB44433
- SB44824
- SB84517
- AS-61643
- CS-0440270
- A11858
- EN300-115684
- A801088
- A801105
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
152.57 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
0
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
152.0240218 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
152.0240218 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
46.5 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
9
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
94.2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
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
1
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 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WMRINGSAVOPXTE-UHFFFAOYSA-N
- EPA DSSToxmethyl 4-chloro-3-hydroxybutanoatehttps://comptox.epa.gov/dashboard/DTXSID30394469
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBaseButanoic acid, 4-chloro-3-hydroxy-, methyl esterhttps://spectrabase.com/spectrum/KFVmljgmwbU
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata4-Chloro-3-hydroxybutanoic acid methyl esterhttps://www.wikidata.org/wiki/Q72451803
- PubChem
- PATENTSCOPE (WIPO)SID 388623344https://pubchem.ncbi.nlm.nih.gov/substance/388623344
CONTENTS