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115992-68-2 | Propanoic acid, 3-hydroxy-2-methyl-, ethyl ester, (2S)-
CAS No: 115992-68-2 Catalog No: AG000HE6 MDL No:
Product Description
Catalog Number:
AG000HE6
Chemical Name:
Propanoic acid, 3-hydroxy-2-methyl-, ethyl ester, (2S)-
CAS Number:
115992-68-2
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
ethyl 3-hydroxy-2-methylpropanoate
InChI:
InChI=1S/C6H12O3/c1-3-9-6(8)5(2)4-7/h5,7H,3-4H2,1-2H3
InChI Key:
SLKZIPLLOLLLPQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@H](CO)C
Properties
Complexity:
90.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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