2-Benzofuranylglyoxal hydrate
PubChem CID
44118544
Structure
Molecular Formula
Synonyms
- 2-Benzofuranylglyoxal hydrate
- 131922-15-1
- 2-(Benzofuran-2-yl)-2-oxoacetaldehyde hydrate
- 1170896-63-5
- 2-(1-benzofuran-2-yl)-2-oxoacetaldehyde hydrate
Molecular Weight
192.17 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2009-07-21
- Modify:2024-12-28
Chemical Structure Depiction
3D Conformer of Parent
2-(1-benzofuran-2-yl)-2-oxoacetaldehyde;hydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C10H6O3.H2O/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10;/h1-6H;1H2
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
JVZHUDOMODCNLO-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC=C2C(=C1)C=C(O2)C(=O)C=O.O
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C10H8O4
Computed by PubChem 2.2 (PubChem release 2024.11.20)
131922-15-1
- 2-Benzofuranylglyoxal hydrate
- 131922-15-1
- 2-(Benzofuran-2-yl)-2-oxoacetaldehyde hydrate
- 1170896-63-5
- 2-(1-benzofuran-2-yl)-2-oxoacetaldehyde hydrate
- 2-(1-benzofuran-2-yl)-2-oxoacetaldehyde;hydrate
- Benzofuran-2-ylglyoxal hydrate
- DTXSID10656870
- AKOS015855321
- AB48663
- DS-0015
- CS-0324885
- (1-Benzofuran-2-yl)(oxo)acetaldehyde--water (1/1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
192.17 g/mol
Reference
Computed by PubChem 2.2 (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
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
192.04225873 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
192.04225873 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
48.3Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
224
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
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
2
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 Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSTox(1-Benzofuran-2-yl)(oxo)acetaldehyde--water (1/1)https://comptox.epa.gov/dashboard/DTXSID10656870
- Wikidata(1-Benzofuran-2-yl)(oxo)acetaldehyde--water (1/1)https://www.wikidata.org/wiki/Q82571934
- PubChem
CONTENTS