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Butanoic acid, 4-hydroxy-3-oxo-

CAS No.:
162369-88-2
Catalog Number:
AG001T1Q
Molecular Formula:
C4H6O4
Molecular Weight:
118.0880
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Product Description
Catalog Number:
AG001T1Q
Chemical Name:
Butanoic acid, 4-hydroxy-3-oxo-
CAS Number:
162369-88-2
Molecular Formula:
C4H6O4
Molecular Weight:
118.0880
MDL Number:
MFCD30605742
IUPAC Name:
4-hydroxy-3-oxobutanoic acid
InChI:
InChI=1S/C4H6O4/c5-2-3(6)1-4(7)8/h5H,1-2H2,(H,7,8)
InChI Key:
JEZCMVCLPKSUOT-UHFFFAOYSA-N
SMILES:
OCC(=O)CC(=O)O
Properties
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.027g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
118.088g/mol
Monoisotopic Mass:
118.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Isopropyl 3,4-dihy-droxy-benzoate. Acta crystallographica. Section E, Structure reports online 20111201
(E)-Isopropyl 3-(3,4-dihy-droxy-phen-yl)acrylate. Acta crystallographica. Section E, Structure reports online 20110101
Properties