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20918-91-6 | Propanoic acid, 2-(acetyloxy)-, ethyl ester, (2S)-
CAS No: 20918-91-6 Catalog No: AG002K2Q MDL No:
Product Description
Catalog Number:
AG002K2Q
Chemical Name:
Propanoic acid, 2-(acetyloxy)-, ethyl ester, (2S)-
CAS Number:
20918-91-6
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
ethyl (2S)-2-acetyloxypropanoate
InChI:
InChI=1S/C7H12O4/c1-4-10-7(9)5(2)11-6(3)8/h5H,4H2,1-3H3/t5-/m0/s1
InChI Key:
BCHOKJRLDTXCSF-YFKPBYRVSA-N
SMILES:
CCOC(=O)[C@@H](OC(=O)C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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