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113258-81-4 | Benzoic acid, 2-(1,2,3,4-tetrahydro-2-methyl-1,3-dioxo-4-isoquinolinyl)-
CAS No: 113258-81-4 Catalog No: AG007SRM MDL No:
Product Description
Catalog Number:
AG007SRM
Chemical Name:
Benzoic acid, 2-(1,2,3,4-tetrahydro-2-methyl-1,3-dioxo-4-isoquinolinyl)-
CAS Number:
113258-81-4
Molecular Formula:
C17H13NO4
Molecular Weight:
295.2894
IUPAC Name:
2-(2-methyl-1,3-dioxo-4H-isoquinolin-4-yl)benzoic acid
InChI:
InChI=1S/C17H13NO4/c1-18-15(19)12-8-4-2-6-10(12)14(16(18)20)11-7-3-5-9-13(11)17(21)22/h2-9,14H,1H3,(H,21,22)
InChI Key:
RQFSFYIEOCHRFG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C1C(=O)N(C)C(=O)c2c1cccc2
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.294g/mol
Monoisotopic Mass:
295.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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