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100-45-8

100-45-8 | Cyclohex-3-enecarbonitrile

CAS No: 100-45-8 Catalog No: AG00006A MDL No:MFCD00013778

Product Description

Catalog Number:
AG00006A
Chemical Name:
Cyclohex-3-enecarbonitrile
CAS Number:
100-45-8
Molecular Formula:
C7H9N
Molecular Weight:
107.1531
MDL Number:
MFCD00013778
IUPAC Name:
cyclohex-3-ene-1-carbonitrile
InChI:
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2
InChI Key:
GYBNBQFUPDFFQX-UHFFFAOYSA-N
SMILES:
N#CC1CCC=CC1
NSC Number:
7407

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.073g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.156g/mol
Monoisotopic Mass:
107.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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