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5349-62-2 | 4-Methyl-1-phenylpentan-2-one
CAS No: 5349-62-2 Catalog No: AG003LPT MDL No:MFCD00015639
Product Description
Catalog Number:
AG003LPT
Chemical Name:
4-Methyl-1-phenylpentan-2-one
CAS Number:
5349-62-2
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00015639
IUPAC Name:
4-methyl-1-phenylpentan-2-one
InChI:
InChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI Key:
DTYGTEGDVPAKDA-UHFFFAOYSA-N
SMILES:
CC(CC(=O)Cc1ccccc1)C
EC Number:
226-316-0
UNII:
2Z1A62342T
NSC Number:
1268
FEMA Number:
2740
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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