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158800-76-1 | Butanoic acid, 3,4-dihydroxy-, (3R)-
CAS No: 158800-76-1 Catalog No: AG001QWH MDL No:
Product Description
Catalog Number:
AG001QWH
Chemical Name:
Butanoic acid, 3,4-dihydroxy-, (3R)-
CAS Number:
158800-76-1
Molecular Formula:
C4H8O4
Molecular Weight:
120.1039
IUPAC Name:
(3R)-3,4-dihydroxybutanoic acid
InChI:
InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8)/t3-/m1/s1
InChI Key:
DZAIOXUZHHTJKN-GSVOUGTGSA-N
SMILES:
OC[C@@H](CC(=O)O)O
Properties
Complexity:
80.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
120.042g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
120.104g/mol
Monoisotopic Mass:
120.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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