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100891-41-6 | 2H-[1,3]Benzodioxolo[5,6-a]quinolizine-3-carboxylic acid, 6,7-dihydro-6-methyl-2-oxo-
CAS No: 100891-41-6 Catalog No: AG00033Z MDL No:
Product Description
Catalog Number:
AG00033Z
Chemical Name:
2H-[1,3]Benzodioxolo[5,6-a]quinolizine-3-carboxylic acid, 6,7-dihydro-6-methyl-2-oxo-
CAS Number:
100891-41-6
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
6-methyl-2-oxo-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carboxylic acid
InChI:
InChI=1S/C16H13NO5/c1-8-2-9-3-14-15(22-7-21-14)4-10(9)12-5-13(18)11(16(19)20)6-17(8)12/h3-6,8H,2,7H2,1H3,(H,19,20)
InChI Key:
DJUJOTVZFFTBPC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn2C(C)Cc3c(c2cc1=O)cc1c(c3)OCO1
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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