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14562-09-5 | 2,4,6-Cycloheptatrien-1-one, 2-phenyl-
CAS No: 14562-09-5 Catalog No: AG001D8I MDL No:
Product Description
Catalog Number:
AG001D8I
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2-phenyl-
CAS Number:
14562-09-5
Molecular Formula:
C13H10O
Molecular Weight:
182.2179
IUPAC Name:
2-phenylcyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C13H10O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1-10H
InChI Key:
UDHQYCHTORTPRF-UHFFFAOYSA-N
SMILES:
O=c1cccccc1c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.222g/mol
Monoisotopic Mass:
182.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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