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Succinic semialdehyde

CAT: 0024-sc-397497ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-397497ASize:5 mg
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CAS Number
692-29-5

Chemical Information

4-Oxobutanoic acid

Succinic semialdehyde is an aldehydic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a 4-oxobutanoate.

CAS Number692-29-5
PubChem CID1112
IUPAC Name4-oxobutanoic acid
Molecular FormulaC4H6O3
Molecular Weight102.09
XLogP-0.8
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity77
SMILES
C(CC(=O)O)C=O
InChI
InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
InChIKey
UIUJIQZEACWQSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Oxobutanoic acid
CAS: 692-29-5
CID: 1112
Formula: C4H6O3
MW: 102.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight102.09
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass102.031694049
Monoisotopic Mass102.031694049
Topological Polar Surface Area54.4 Ų
Heavy Atom Count7
Formal Charge0
Complexity77
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes