200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 68804-00-2
68804-00-2 | 3-(4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-3-YL)ACRYLONITRILE
CAS No: 68804-00-2 Catalog No: AG005NZI MDL No:
Product Description
Catalog Number:
AG005NZI
Chemical Name:
3-(4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-3-YL)ACRYLONITRILE
CAS Number:
68804-00-2
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
(E)-3-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)prop-2-enenitrile
InChI:
InChI=1S/C13H19N/c1-9-7-11-12(13(11,2)3)8-10(9)5-4-6-14/h4-5,9-12H,7-8H2,1-3H3/b5-4+
InChI Key:
RCAHNKBVXSNLBI-SNAWJCMRSA-N
SMILES:
CC1CC2C(CC1C=CC#N)C2(C)C
EC Number:
272-319-5
Properties
Complexity:
304
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:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
© 2019 Angene International Limited. All rights Reserved.