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14798-99-3 | 1-Cycloheptene-1-carbonitrile, 2-amino-
CAS No: 14798-99-3 Catalog No: AG001FCW MDL No:
Product Description
Catalog Number:
AG001FCW
Chemical Name:
1-Cycloheptene-1-carbonitrile, 2-amino-
CAS Number:
14798-99-3
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
IUPAC Name:
2-aminocycloheptene-1-carbonitrile
InChI:
InChI=1S/C8H12N2/c9-6-7-4-2-1-3-5-8(7)10/h1-5,10H2
InChI Key:
UZLQGEHBBPBQDH-UHFFFAOYSA-N
SMILES:
N#CC1=C(N)CCCCC1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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