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Home > Other Heterocycles > 88537-28-4
88537-28-4 | 2-Azabicyclo[4.3.1]deca-4,7-diene-3,9-dione, 5,7-dimethyl-
CAS No: 88537-28-4 Catalog No: AG0045P8 MDL No:
Product Description
Catalog Number:
AG0045P8
Chemical Name:
2-Azabicyclo[4.3.1]deca-4,7-diene-3,9-dione, 5,7-dimethyl-
CAS Number:
88537-28-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
5,7-dimethyl-2-azabicyclo[4.3.1]deca-4,7-diene-3,9-dione
InChI:
InChI=1S/C11H13NO2/c1-6-3-10(13)9-5-8(6)7(2)4-11(14)12-9/h3-4,8-9H,5H2,1-2H3,(H,12,14)
InChI Key:
IJIJVKKMPOQIOA-UHFFFAOYSA-N
SMILES:
O=C1NC2CC(C(=C1)C)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:
0.2
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