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Home > Other Heterocycles > 88653-54-7
88653-54-7 | Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-
CAS No: 88653-54-7 Catalog No: AG0048XN MDL No:
Product Description
Catalog Number:
AG0048XN
Chemical Name:
Bicyclo[2.2.1]heptane-1-carbonitrile, 4,7,7-trimethyl-3-oxo-
CAS Number:
88653-54-7
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonitrile
InChI:
InChI=1S/C11H15NO/c1-9(2)10(3)4-5-11(9,7-12)6-8(10)13/h4-6H2,1-3H3
InChI Key:
SEBZADWFIXJMGC-UHFFFAOYSA-N
SMILES:
N#CC12CCC(C2(C)C)(C(=O)C1)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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