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Home > Indoles and Oxindole > 161291-72-1
161291-72-1 | 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-methylbenzoic acid
CAS No: 161291-72-1 Catalog No: AG019YGP MDL No:MFCD22196402
Product Description
Catalog Number:
AG019YGP
Chemical Name:
4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-methylbenzoic acid
CAS Number:
161291-72-1
Molecular Formula:
C16H11NO4
Molecular Weight:
281.2628
MDL Number:
MFCD22196402
IUPAC Name:
4-(1,3-dioxoisoindol-2-yl)-2-methylbenzoic acid
InChI:
InChI=1S/C16H11NO4/c1-9-8-10(6-7-11(9)16(20)21)17-14(18)12-4-2-3-5-13(12)15(17)19/h2-8H,1H3,(H,20,21)
InChI Key:
DMYCIRBSCFYQLA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.267g/mol
Monoisotopic Mass:
281.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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