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129025-85-0 | Butanoic acid, 2-hydroxy-3-methyl-, ethyl ester, (2R)-
CAS No: 129025-85-0 Catalog No: AG000YSV MDL No:
Product Description
Catalog Number:
AG000YSV
Chemical Name:
Butanoic acid, 2-hydroxy-3-methyl-, ethyl ester, (2R)-
CAS Number:
129025-85-0
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
ethyl (2R)-2-hydroxy-3-methylbutanoate
InChI:
InChI=1S/C7H14O3/c1-4-10-7(9)6(8)5(2)3/h5-6,8H,4H2,1-3H3/t6-/m1/s1
InChI Key:
IZRVEUZYBVGCFC-ZCFIWIBFSA-N
SMILES:
CCOC(=O)[C@@H](C(C)C)O
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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