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Home > Indoles and Oxindole > 781626-90-2
781626-90-2 | 5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-hydroxy-3-methylbenzoic acid
CAS No: 781626-90-2 Catalog No: AG019JZ7 MDL No:MFCD06353535
Product Description
Catalog Number:
AG019JZ7
Chemical Name:
5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-hydroxy-3-methylbenzoic acid
CAS Number:
781626-90-2
Molecular Formula:
C17H13NO5
Molecular Weight:
311.2888
MDL Number:
MFCD06353535
IUPAC Name:
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methylbenzoic acid
InChI:
InChI=1S/C17H13NO5/c1-9-6-10(7-13(14(9)19)17(22)23)8-18-15(20)11-4-2-3-5-12(11)16(18)21/h2-7,19H,8H2,1H3,(H,22,23)
InChI Key:
VDIFITHYYFBFKE-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2cc(C)c(c(c2)C(=O)O)O)C(=O)c2c1cccc2
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.293g/mol
Monoisotopic Mass:
311.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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