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16736-87-1 | 1H-Phenalen-1-one, 3-phenyl-
CAS No: 16736-87-1 Catalog No: AG001XCE MDL No:
Product Description
Catalog Number:
AG001XCE
Chemical Name:
1H-Phenalen-1-one, 3-phenyl-
CAS Number:
16736-87-1
Molecular Formula:
C19H12O
Molecular Weight:
256.2980
IUPAC Name:
3-phenylphenalen-1-one
InChI:
InChI=1S/C19H12O/c20-18-12-17(13-6-2-1-3-7-13)15-10-4-8-14-9-5-11-16(18)19(14)15/h1-12H
InChI Key:
KWERNGKZPMFQGF-UHFFFAOYSA-N
SMILES:
O=C1C=C(c2ccccc2)c2c3c1cccc3ccc2
NSC Number:
156165
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.304g/mol
Monoisotopic Mass:
256.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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