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17450-68-9 | 6-Benzofurancarbonitrile
CAS No: 17450-68-9 Catalog No: AG001ZQ4 MDL No:
Product Description
Catalog Number:
AG001ZQ4
Chemical Name:
6-Benzofurancarbonitrile
CAS Number:
17450-68-9
Molecular Formula:
C9H5NO
Molecular Weight:
143.1421
IUPAC Name:
1-benzofuran-6-carbonitrile
InChI:
InChI=1S/C9H5NO/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5H
InChI Key:
FNEHMKWYWLJNIC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)occ2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.145g/mol
Monoisotopic Mass:
143.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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