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Home > Other Heterocycles > 88537-27-3
88537-27-3 | 2-Azabicyclo[4.3.1]deca-4,8-diene-3,7-dione, 5,9-dimethyl-
CAS No: 88537-27-3 Catalog No: AG0045P9 MDL No:
Product Description
Catalog Number:
AG0045P9
Chemical Name:
2-Azabicyclo[4.3.1]deca-4,8-diene-3,7-dione, 5,9-dimethyl-
CAS Number:
88537-27-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
5,9-dimethyl-2-azabicyclo[4.3.1]deca-4,8-diene-3,7-dione
InChI:
InChI=1S/C11H13NO2/c1-6-4-11(14)12-9-5-8(6)10(13)3-7(9)2/h3-4,8-9H,5H2,1-2H3,(H,12,14)
InChI Key:
JWRFAWMMZWMDPX-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)C2CC(N1)C(=CC2=O)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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