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1467-01-2 | 9-Anthracenecarbonitrile, 10-methyl-
CAS No: 1467-01-2 Catalog No: AG001E8R MDL No:
Product Description
Catalog Number:
AG001E8R
Chemical Name:
9-Anthracenecarbonitrile, 10-methyl-
CAS Number:
1467-01-2
Molecular Formula:
C16H11N
Molecular Weight:
217.2652
IUPAC Name:
10-methylanthracene-9-carbonitrile
InChI:
InChI=1S/C16H11N/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-9H,1H3
InChI Key:
WZWRZJWPLAVPPD-UHFFFAOYSA-N
SMILES:
N#Cc1c2ccccc2c(c2c1cccc2)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.271g/mol
Monoisotopic Mass:
217.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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