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157338-25-5 | 1-Pentanone, 3-hydroxy-4-methyl-1-phenyl-, (3S)-
CAS No: 157338-25-5 Catalog No: AG001PE7 MDL No:
Product Description
Catalog Number:
AG001PE7
Chemical Name:
1-Pentanone, 3-hydroxy-4-methyl-1-phenyl-, (3S)-
CAS Number:
157338-25-5
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
(3S)-3-hydroxy-4-methyl-1-phenylpentan-1-one
InChI:
InChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-/m0/s1
InChI Key:
BCGVBUUHOCSGBT-NSHDSACASA-N
SMILES:
O[C@H](C(C)C)CC(=O)c1ccccc1
Properties
Complexity:
181
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:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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