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Home > Other Heterocycles > 79570-08-4
79570-08-4 | 2-Propenenitrile,3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)-
CAS No: 79570-08-4 Catalog No: AG00585B MDL No:
Product Description
Catalog Number:
AG00585B
Chemical Name:
2-Propenenitrile,3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)-
CAS Number:
79570-08-4
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
IUPAC Name:
(E)-3-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)prop-2-enenitrile
InChI:
InChI=1S/C12H17N/c1-12(2)10-6-5-9(4-3-7-13)11(12)8-10/h3-4,9-11H,5-6,8H2,1-2H3/b4-3+
InChI Key:
CNTLYFYZUXZSBL-ONEGZZNKSA-N
SMILES:
N#CC=CC1CCC2CC1C2(C)C
EC Number:
279-188-3
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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