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150459-79-3 | 5H-Cyclohepta[b]pyridine-2-carbonitrile, 6,7,8,9-tetrahydro-
CAS No: 150459-79-3 Catalog No: AG001MMM MDL No:
Product Description
Catalog Number:
AG001MMM
Chemical Name:
5H-Cyclohepta[b]pyridine-2-carbonitrile, 6,7,8,9-tetrahydro-
CAS Number:
150459-79-3
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-2-carbonitrile
InChI:
InChI=1S/C11H12N2/c12-8-10-7-6-9-4-2-1-3-5-11(9)13-10/h6-7H,1-5H2
InChI Key:
JYJCOXFICFSUEN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)CCCCC2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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