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83358-33-2 | 6-Cyano-6H-dibenzo(b,d)pyran
CAS No: 83358-33-2 Catalog No: AG004S5H MDL No:
Product Description
Catalog Number:
AG004S5H
Chemical Name:
6-Cyano-6H-dibenzo(b,d)pyran
CAS Number:
83358-33-2
Molecular Formula:
C14H9NO
Molecular Weight:
207.2274
IUPAC Name:
6H-benzo[c]chromene-6-carbonitrile
InChI:
InChI=1S/C14H9NO/c15-9-14-12-7-2-1-5-10(12)11-6-3-4-8-13(11)16-14/h1-8,14H
InChI Key:
WQHAZYSCIDMBTQ-UHFFFAOYSA-N
SMILES:
N#CC1Oc2ccccc2c2c1cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.232g/mol
Monoisotopic Mass:
207.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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