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188868-49-7 | Azacyclohepta-1,2,4,6-tetraene-3-carbonitrile
CAS No: 188868-49-7 Catalog No: AG002HFC MDL No:
Product Description
Catalog Number:
AG002HFC
Chemical Name:
Azacyclohepta-1,2,4,6-tetraene-3-carbonitrile
CAS Number:
188868-49-7
Molecular Formula:
C7H4N2
Molecular Weight:
116.1201
IUPAC Name:
1-azacyclohepta-1,2,4,6-tetraene-3-carbonitrile
InChI:
InChI=1S/C7H4N2/c8-5-7-3-1-2-4-9-6-7/h1-4H
InChI Key:
WYOUGVKORSFPTP-UHFFFAOYSA-N
SMILES:
N#CC1=C=NC=CC=C1
Properties
Complexity:
267
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.037g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.123g/mol
Monoisotopic Mass:
116.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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