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14463-79-7 | 2H-Isoindole-2-acetic acid, 1,3-dihydro-α,α-dimethyl-1,3-dioxo-
CAS No: 14463-79-7 Catalog No: AG001JVS MDL No:MFCD00840525
Product Description
Catalog Number:
AG001JVS
Chemical Name:
2H-Isoindole-2-acetic acid, 1,3-dihydro-α,α-dimethyl-1,3-dioxo-
CAS Number:
14463-79-7
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD00840525
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C12H11NO4/c1-12(2,11(16)17)13-9(14)7-5-3-4-6-8(7)10(13)15/h3-6H,1-2H3,(H,16,17)
InChI Key:
FPOSIYHINNEBSP-UHFFFAOYSA-N
SMILES:
OC(=O)C(N1C(=O)c2c(C1=O)cccc2)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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