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16001-14-2 | 9-Anthracenecarbonitrile, 10-methoxy-
CAS No: 16001-14-2 Catalog No: AG001RM2 MDL No:
Product Description
Catalog Number:
AG001RM2
Chemical Name:
9-Anthracenecarbonitrile, 10-methoxy-
CAS Number:
16001-14-2
Molecular Formula:
C16H11NO
Molecular Weight:
233.2646
IUPAC Name:
10-methoxyanthracene-9-carbonitrile
InChI:
InChI=1S/C16H11NO/c1-18-16-13-8-4-2-6-11(13)15(10-17)12-7-3-5-9-14(12)16/h2-9H,1H3
InChI Key:
KJJZHOUNSLBRLH-UHFFFAOYSA-N
SMILES:
COc1c2ccccc2c(c2c1cccc2)C#N
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.27g/mol
Monoisotopic Mass:
233.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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