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Home > Other Heterocycles > 72214-40-5
72214-40-5 | 2-Propenenitrile,3-(3,7,7-trimethylbicyclo[4.1.0]heptyl)-
CAS No: 72214-40-5 Catalog No: AG005V2V MDL No:
Product Description
Catalog Number:
AG005V2V
Chemical Name:
2-Propenenitrile,3-(3,7,7-trimethylbicyclo[4.1.0]heptyl)-
CAS Number:
72214-40-5
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
(E)-3-(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)prop-2-enenitrile
InChI:
InChI=1S/C13H19N/c1-10-5-6-11-12(2,3)13(11,9-10)7-4-8-14/h4,7,10-11H,5-6,9H2,1-3H3/b7-4+
InChI Key:
ZKOZRKAKTFRKJP-QPJJXVBHSA-N
SMILES:
CC1CCC2C(C1)(C=CC#N)C2(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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