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14031-88-0 | Propanoic acid, 2-(acetyloxy)-, methyl ester, (2S)-
CAS No: 14031-88-0 Catalog No: AG001C8P MDL No:
Product Description
Catalog Number:
AG001C8P
Chemical Name:
Propanoic acid, 2-(acetyloxy)-, methyl ester, (2S)-
CAS Number:
14031-88-0
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
methyl (2S)-2-acetyloxypropanoate
InChI:
InChI=1S/C6H10O4/c1-4(6(8)9-3)10-5(2)7/h4H,1-3H3/t4-/m0/s1
InChI Key:
QTFFGYLLUHQSAS-BYPYZUCNSA-N
SMILES:
COC(=O)[C@@H](OC(=O)C)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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