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88015-28-5 | Propanedinitrile, 9-anthracenyl-
CAS No: 88015-28-5 Catalog No: AG004NVC MDL No:
Product Description
Catalog Number:
AG004NVC
Chemical Name:
Propanedinitrile, 9-anthracenyl-
CAS Number:
88015-28-5
Molecular Formula:
C17H10N2
Molecular Weight:
242.2747
IUPAC Name:
2-anthracen-9-ylpropanedinitrile
InChI:
InChI=1S/C17H10N2/c18-10-14(11-19)17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)17/h1-9,14H
InChI Key:
WCZMZNQZUKVDNL-UHFFFAOYSA-N
SMILES:
N#CC(c1c2ccccc2cc2c1cccc2)C#N
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.281g/mol
Monoisotopic Mass:
242.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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