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85554-24-1 | XANTHENE-9-CARBONITRILE
CAS No: 85554-24-1 Catalog No: AG004UHG MDL No:
Product Description
Catalog Number:
AG004UHG
Chemical Name:
XANTHENE-9-CARBONITRILE
CAS Number:
85554-24-1
Molecular Formula:
C14H9NO
Molecular Weight:
207.2274
IUPAC Name:
9H-xanthene-9-carbonitrile
InChI:
InChI=1S/C14H9NO/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H
InChI Key:
ATOQLGNDBZUHKM-UHFFFAOYSA-N
SMILES:
N#CC1c2ccccc2Oc2c1cccc2
Properties
Complexity:
283
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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