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119341-68-3 | 2-Propanone, 1-hydroxy-1-(3-methylphenyl)-, (1S)-
CAS No: 119341-68-3 Catalog No: AG000IN3 MDL No:
Product Description
Catalog Number:
AG000IN3
Chemical Name:
2-Propanone, 1-hydroxy-1-(3-methylphenyl)-, (1S)-
CAS Number:
119341-68-3
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
(1S)-1-hydroxy-1-(3-methylphenyl)propan-2-one
InChI:
InChI=1S/C10H12O2/c1-7-4-3-5-9(6-7)10(12)8(2)11/h3-6,10,12H,1-2H3/t10-/m1/s1
InChI Key:
KVGOGLAWIKTCCK-SNVBAGLBSA-N
SMILES:
CC(=O)[C@H](c1cccc(c1)C)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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