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88241-56-9 | Butanoic acid, 2-(acetyloxy)-, ethyl ester, (S)-
CAS No: 88241-56-9 Catalog No: AG004AYL MDL No:
Product Description
Catalog Number:
AG004AYL
Chemical Name:
Butanoic acid, 2-(acetyloxy)-, ethyl ester, (S)-
CAS Number:
88241-56-9
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
ethyl (2S)-2-acetyloxybutanoate
InChI:
InChI=1S/C8H14O4/c1-4-7(12-6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3/t7-/m0/s1
InChI Key:
QMAYRYVZUNWYDW-ZETCQYMHSA-N
SMILES:
CCOC(=O)[C@@H](OC(=O)C)CC
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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