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1261631-07-5 | 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-3-oxo-, ethyl ester
CAS No: 1261631-07-5 Catalog No: AG000RWY MDL No:MFCD18416663
Product Description
Catalog Number:
AG000RWY
Chemical Name:
1H-Isoindole-5-carboxylic acid, 2,3-dihydro-3-oxo-, ethyl ester
CAS Number:
1261631-07-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD18416663
IUPAC Name:
ethyl 3-oxo-1,2-dihydroisoindole-5-carboxylate
InChI:
InChI=1S/C11H11NO3/c1-2-15-11(14)7-3-4-8-6-12-10(13)9(8)5-7/h3-5H,2,6H2,1H3,(H,12,13)
InChI Key:
RZYGNJUDZYBZBU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)C(=O)NC2
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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