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Home > Indoles and Oxindole > 565210-81-3
565210-81-3 | 3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-4,5-dimethoxybenzoic acid
CAS No: 565210-81-3 Catalog No: AG019IH4 MDL No:MFCD04613017
Product Description
Catalog Number:
AG019IH4
Chemical Name:
3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-4,5-dimethoxybenzoic acid
CAS Number:
565210-81-3
Molecular Formula:
C18H15NO6
Molecular Weight:
341.3148
MDL Number:
MFCD04613017
IUPAC Name:
3-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethoxybenzoic acid
InChI:
InChI=1S/C18H15NO6/c1-24-14-8-10(18(22)23)7-11(15(14)25-2)9-19-16(20)12-5-3-4-6-13(12)17(19)21/h3-8H,9H2,1-2H3,(H,22,23)
InChI Key:
ZZUUPXFZZZPAFP-UHFFFAOYSA-N
SMILES:
COc1c(cc(cc1OC)C(=O)O)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.319g/mol
Monoisotopic Mass:
341.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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