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188867-94-9 | 4-Azepinecarbonitrile, 3-methyl-
CAS No: 188867-94-9 Catalog No: AG002HFE MDL No:
Product Description
Catalog Number:
AG002HFE
Chemical Name:
4-Azepinecarbonitrile, 3-methyl-
CAS Number:
188867-94-9
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
IUPAC Name:
3-methyl-1-azacyclohepta-1,2,4,6-tetraene-4-carbonitrile
InChI:
InChI=1S/C8H6N2/c1-7-6-10-4-2-3-8(7)5-9/h2-4H,1H3
InChI Key:
JDVFCZMKNDSJMW-UHFFFAOYSA-N
SMILES:
N#CC1=CC=CNC=C1C
Properties
Complexity:
303
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.15g/mol
Monoisotopic Mass:
130.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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