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1154-38-7 | 2,4,6-Cycloheptatrien-1-one, 2,7-diphenyl-
CAS No: 1154-38-7 Catalog No: AG000FXU MDL No:
Product Description
Catalog Number:
AG000FXU
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2,7-diphenyl-
CAS Number:
1154-38-7
Molecular Formula:
C19H14O
Molecular Weight:
258.3139
IUPAC Name:
2,7-diphenylcyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C19H14O/c20-19-17(15-9-3-1-4-10-15)13-7-8-14-18(19)16-11-5-2-6-12-16/h1-14H
InChI Key:
GGMMHIJLGVLBDA-UHFFFAOYSA-N
SMILES:
O=c1c(ccccc1c1ccccc1)c1ccccc1
NSC Number:
135406
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.32g/mol
Monoisotopic Mass:
258.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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