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159029-75-1 | 1H-Isoindole-1-carboxylic acid, 2,3-dihydro-1-hydroxy-2-methyl-3-oxo-, ethyl ester
CAS No: 159029-75-1 Catalog No: AG001QEU MDL No:
Product Description
Catalog Number:
AG001QEU
Chemical Name:
1H-Isoindole-1-carboxylic acid, 2,3-dihydro-1-hydroxy-2-methyl-3-oxo-, ethyl ester
CAS Number:
159029-75-1
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
ethyl 1-hydroxy-2-methyl-3-oxoisoindole-1-carboxylate
InChI:
InChI=1S/C12H13NO4/c1-3-17-11(15)12(16)9-7-5-4-6-8(9)10(14)13(12)2/h4-7,16H,3H2,1-2H3
InChI Key:
JILHGVIIRAXRTF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(O)c2ccccc2C(=O)N1C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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