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Home > Other Heterocycles > 914472-48-3
914472-48-3 | (1R,2R,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carbonitrile
CAS No: 914472-48-3 Catalog No: AG01DDBJ MDL No:MFCD31630145
Product Description
Catalog Number:
AG01DDBJ
Chemical Name:
(1R,2R,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carbonitrile
CAS Number:
914472-48-3
MDL Number:
MFCD31630145
IUPAC Name:
2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbonitrile
InChI:
InChI=1S/C11H17N/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h7-10H,4-5H2,1-3H3
InChI Key:
WNNYEGNBTUCESQ-UHFFFAOYSA-N
Properties
Complexity:
245
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:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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