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22970-75-8 | 9-Anthracenecarbonitrile, 10-benzoyl-
CAS No: 22970-75-8 Catalog No: AG002LQQ MDL No:
Product Description
Catalog Number:
AG002LQQ
Chemical Name:
9-Anthracenecarbonitrile, 10-benzoyl-
CAS Number:
22970-75-8
Molecular Formula:
C22H13NO
Molecular Weight:
307.3447
IUPAC Name:
10-benzoylanthracene-9-carbonitrile
InChI:
InChI=1S/C22H13NO/c23-14-20-16-10-4-6-12-18(16)21(19-13-7-5-11-17(19)20)22(24)15-8-2-1-3-9-15/h1-13H
InChI Key:
VNMYBDIVHKGMRS-UHFFFAOYSA-N
SMILES:
N#Cc1c2ccccc2c(c2c1cccc2)C(=O)c1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.352g/mol
Monoisotopic Mass:
307.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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