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Home > Other Heterocycles > 68803-99-6
68803-99-6 | 2-Propenenitrile,3-(3,7,7-trimethylbicyclo[4.1.0]hept-2-yl)-
CAS No: 68803-99-6 Catalog No: AG0061AJ MDL No:
Product Description
Catalog Number:
AG0061AJ
Chemical Name:
2-Propenenitrile,3-(3,7,7-trimethylbicyclo[4.1.0]hept-2-yl)-
CAS Number:
68803-99-6
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
(E)-3-(3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl)prop-2-enenitrile
InChI:
InChI=1S/C13H19N/c1-9-6-7-11-12(13(11,2)3)10(9)5-4-8-14/h4-5,9-12H,6-7H2,1-3H3/b5-4+
InChI Key:
ZCLNOHYVAWUWHR-SNAWJCMRSA-N
SMILES:
N#CC=CC1C(C)CCC2C1C2(C)C
EC Number:
272-317-4
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
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