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20343-19-5 | 1-Cycloheptene-1-carbonitrile
CAS No: 20343-19-5 Catalog No: AG0028WC MDL No:MFCD00184927
Product Description
Catalog Number:
AG0028WC
Chemical Name:
1-Cycloheptene-1-carbonitrile
CAS Number:
20343-19-5
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
MDL Number:
MFCD00184927
IUPAC Name:
cycloheptene-1-carbonitrile
InChI:
InChI=1S/C8H11N/c9-7-8-5-3-1-2-4-6-8/h5H,1-4,6H2
InChI Key:
HUPRCTTYIILOTI-UHFFFAOYSA-N
SMILES:
N#CC1=CCCCCC1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.183g/mol
Monoisotopic Mass:
121.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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