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14171-89-2 | 2-Hexanone, 6-phenyl-
CAS No: 14171-89-2 Catalog No: AG001GXJ MDL No:MFCD09032287
Product Description
Catalog Number:
AG001GXJ
Chemical Name:
2-Hexanone, 6-phenyl-
CAS Number:
14171-89-2
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD09032287
IUPAC Name:
6-phenylhexan-2-one
InChI:
InChI=1S/C12H16O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3
InChI Key:
RVHCOKLJDUVNOR-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCc1ccccc1
EC Number:
238-017-2
NSC Number:
210804
Properties
Complexity:
145
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:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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