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1261788-26-4 | 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo-, ethyl ester
CAS No: 1261788-26-4 Catalog No: AG000S07 MDL No:
Product Description
Catalog Number:
AG000S07
Chemical Name:
1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo-, ethyl ester
CAS Number:
1261788-26-4
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
ethyl 1-oxo-2,3-dihydroisoindole-5-carboxylate
InChI:
InChI=1S/C11H11NO3/c1-2-15-11(14)7-3-4-9-8(5-7)6-12-10(9)13/h3-5H,2,6H2,1H3,(H,12,13)
InChI Key:
MHWHNEQJVYCFBK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)CNC2=O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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