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139642-81-2 | 9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro-
CAS No: 139642-81-2 Catalog No: AG001BFQ MDL No:
Product Description
Catalog Number:
AG001BFQ
Chemical Name:
9-Anthracenecarbonitrile, 9-butyl-9,10-dihydro-
CAS Number:
139642-81-2
Molecular Formula:
C19H19N
Molecular Weight:
261.3609
IUPAC Name:
9-butyl-10H-anthracene-9-carbonitrile
InChI:
InChI=1S/C19H19N/c1-2-3-12-19(14-20)17-10-6-4-8-15(17)13-16-9-5-7-11-18(16)19/h4-11H,2-3,12-13H2,1H3
InChI Key:
RPRPSBDZMSPXTD-UHFFFAOYSA-N
SMILES:
CCCCC1(C#N)c2ccccc2Cc2c1cccc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.368g/mol
Monoisotopic Mass:
261.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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