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96203-65-5 | 3-Cyclopentene-1-propanenitrile, 2,2,3-trimethyl-, (R)-
CAS No: 96203-65-5 Catalog No: AG005VCI MDL No:
Product Description
Catalog Number:
AG005VCI
Chemical Name:
3-Cyclopentene-1-propanenitrile, 2,2,3-trimethyl-, (R)-
CAS Number:
96203-65-5
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
IUPAC Name:
3-(2,2,3-trimethylcyclopent-3-en-1-yl)propanenitrile
InChI:
InChI=1S/C11H17N/c1-9-6-7-10(5-4-8-12)11(9,2)3/h6,10H,4-5,7H2,1-3H3
InChI Key:
XTZDLVKEHSXJMF-UHFFFAOYSA-N
SMILES:
N#CCC[C@@H]1CC=C(C1(C)C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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