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Home > Indoles and Oxindole > 1004085-26-0
1004085-26-0 | 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
CAS No: 1004085-26-0 Catalog No: AG00H981 MDL No:MFCD12197709
Product Description
Catalog Number:
AG00H981
Chemical Name:
4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
CAS Number:
1004085-26-0
Molecular Formula:
C16H11NO4
Molecular Weight:
281.2628
MDL Number:
MFCD12197709
IUPAC Name:
4-(4-methyl-1,3-dioxoisoindol-2-yl)benzoic acid
InChI:
InChI=1S/C16H11NO4/c1-9-3-2-4-12-13(9)15(19)17(14(12)18)11-7-5-10(6-8-11)16(20)21/h2-8H,1H3,(H,20,21)
InChI Key:
WNSDQNTZZXCIRH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(C)ccc2
Properties
Complexity:
467
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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