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Home > Other Heterocycles > 156322-23-5
156322-23-5 | Bicyclo[3.1.1]hept-2-ene-2-carbonitrile, 6,6-dimethyl-, (1R,5S)-
CAS No: 156322-23-5 Catalog No: AG001OOL MDL No:
Product Description
Catalog Number:
AG001OOL
Chemical Name:
Bicyclo[3.1.1]hept-2-ene-2-carbonitrile, 6,6-dimethyl-, (1R,5S)-
CAS Number:
156322-23-5
Molecular Formula:
C10H13N
Molecular Weight:
147.2169
IUPAC Name:
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbonitrile
InChI:
InChI=1S/C10H13N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-5H2,1-2H3/t8-,9-/m0/s1
InChI Key:
JDDKFAVLJGHFPR-IUCAKERBSA-N
SMILES:
N#CC1=CC[C@H]2C[C@@H]1C2(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
147.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.221g/mol
Monoisotopic Mass:
147.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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