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2480-77-5

2480-77-5 | Propanoic acid, 2-hydroxy-3-oxo-

CAS No: 2480-77-5 Catalog No: AG002PHE MDL No:

Product Description

Catalog Number:
AG002PHE
Chemical Name:
Propanoic acid, 2-hydroxy-3-oxo-
CAS Number:
2480-77-5
Molecular Formula:
C3H4O4
Molecular Weight:
104.0615
IUPAC Name:
2-hydroxy-3-oxopropanoic acid
InChI:
InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)
InChI Key:
QWBAFPFNGRFSFB-UHFFFAOYSA-N
SMILES:
O=CC(C(=O)O)O

Properties

Complexity:
86.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.011g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
104.061g/mol
Monoisotopic Mass:
104.011g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  

Literature

Title Journal
Crystal structures of the metal-dependent 2-dehydro-3-deoxy-galactarate aldolase suggest a novel reaction mechanism. The EMBO journal 20000801

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