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Home > Indoles and Oxindole > 424815-42-9
424815-42-9 | 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
CAS No: 424815-42-9 Catalog No: AG00JCGP MDL No:MFCD00523294
Product Description
Catalog Number:
AG00JCGP
Chemical Name:
4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
CAS Number:
424815-42-9
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
MDL Number:
MFCD00523294
IUPAC Name:
4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid
InChI:
InChI=1S/C16H15NO4/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(4-6-11)16(20)21/h2-6,12-13H,7-8H2,1H3,(H,20,21)
InChI Key:
CMEDBZOQPCCFKM-UHFFFAOYSA-N
SMILES:
CC1=CCC2C(C1)C(=O)N(C2=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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