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Home > Other Building Blocks > 79314-55-9
79314-55-9 | 1-Pentanone, 3-hydroxy-2-methyl-1-phenyl-
CAS No: 79314-55-9 Catalog No: AG005KDZ MDL No:
Product Description
Catalog Number:
AG005KDZ
Chemical Name:
1-Pentanone, 3-hydroxy-2-methyl-1-phenyl-
CAS Number:
79314-55-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
3-hydroxy-2-methyl-1-phenylpentan-1-one
InChI:
InChI=1S/C12H16O2/c1-3-11(13)9(2)12(14)10-7-5-4-6-8-10/h4-9,11,13H,3H2,1-2H3
InChI Key:
JKUZVRUHLINACA-UHFFFAOYSA-N
SMILES:
CCC(C(C(=O)c1ccccc1)C)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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