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87172-81-4 | Butanoic acid, 2-hydroxy-, ethyl ester, (R)-
CAS No: 87172-81-4 Catalog No: AG004T9G MDL No:MFCD22418999
Product Description
Catalog Number:
AG004T9G
Chemical Name:
Butanoic acid, 2-hydroxy-, ethyl ester, (R)-
CAS Number:
87172-81-4
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD22418999
IUPAC Name:
ethyl (2R)-2-hydroxybutanoate
InChI:
InChI=1S/C6H12O3/c1-3-5(7)6(8)9-4-2/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChI Key:
KWWOQRSLYPHAMK-RXMQYKEDSA-N
SMILES:
CCOC(=O)[C@@H](CC)O
Properties
Complexity:
90.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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