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101400-59-3 | 2-Propenenitrile, 3-(2,2,3-trimethyl-6-methylenecyclohexyl)-
CAS No: 101400-59-3 Catalog No: AG0004EN MDL No:
Product Description
Catalog Number:
AG0004EN
Chemical Name:
2-Propenenitrile, 3-(2,2,3-trimethyl-6-methylenecyclohexyl)-
CAS Number:
101400-59-3
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
3-(2,2,3-trimethyl-6-methylidenecyclohexyl)prop-2-enenitrile
InChI:
InChI=1S/C13H19N/c1-10-7-8-11(2)13(3,4)12(10)6-5-9-14/h5-6,11-12H,1,7-8H2,2-4H3
InChI Key:
UKWFUFNXGRHSSI-UHFFFAOYSA-N
SMILES:
CC1CCC(=C)C(C1(C)C)C=CC#N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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