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Home > Other Heterocycles > 135823-13-1
135823-13-1 | Bicyclo[4.2.0]octane-7,8-dicarbonitrile, 1-methyl-5-oxo-
CAS No: 135823-13-1 Catalog No: AG0072AV MDL No:
Product Description
Catalog Number:
AG0072AV
Chemical Name:
Bicyclo[4.2.0]octane-7,8-dicarbonitrile, 1-methyl-5-oxo-
CAS Number:
135823-13-1
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
1-methyl-5-oxobicyclo[4.2.0]octane-7,8-dicarbonitrile
InChI:
InChI=1S/C11H12N2O/c1-11-4-2-3-9(14)10(11)7(5-12)8(11)6-13/h7-8,10H,2-4H2,1H3
InChI Key:
LTXAVUPIFMOECV-UHFFFAOYSA-N
SMILES:
N#CC1C(C#N)C2(C1C(=O)CCC2)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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