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161024-76-6 | Butanoic acid, (1S)-1-phenylethyl ester
CAS No: 161024-76-6 Catalog No: AG001VL0 MDL No:
Product Description
Catalog Number:
AG001VL0
Chemical Name:
Butanoic acid, (1S)-1-phenylethyl ester
CAS Number:
161024-76-6
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
[(1S)-1-phenylethyl] butanoate
InChI:
InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/t10-/m0/s1
InChI Key:
GGKADXREVJTZMF-JTQLQIEISA-N
SMILES:
CCCC(=O)O[C@H](c1ccccc1)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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