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17913-10-9 | 2-Pentanone, 4-phenyl-
CAS No: 17913-10-9 Catalog No: AG0026TS MDL No:
Product Description
Catalog Number:
AG0026TS
Chemical Name:
2-Pentanone, 4-phenyl-
CAS Number:
17913-10-9
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
4-phenylpentan-2-one
InChI:
InChI=1S/C11H14O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChI Key:
SYOVWIRLZABVDO-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)CC(=O)C
EC Number:
241-857-2
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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