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306320-92-3 | 1H-Isoindole-5-carboxylic acid, 2-(2,5-dimethylphenyl)-2,3-dihydro-1,3-dioxo-
CAS No: 306320-92-3 Catalog No: AG0030PZ MDL No:MFCD00401822
Product Description
Catalog Number:
AG0030PZ
Chemical Name:
1H-Isoindole-5-carboxylic acid, 2-(2,5-dimethylphenyl)-2,3-dihydro-1,3-dioxo-
CAS Number:
306320-92-3
Molecular Formula:
C17H13NO4
Molecular Weight:
295.2894
MDL Number:
MFCD00401822
IUPAC Name:
2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
InChI:
InChI=1S/C17H13NO4/c1-9-3-4-10(2)14(7-9)18-15(19)12-6-5-11(17(21)22)8-13(12)16(18)20/h3-8H,1-2H3,(H,21,22)
InChI Key:
SIWXMKDPCUAHIK-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O)C
Properties
Complexity:
503
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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