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18091-82-2 | 2H-Isoindole-2-carboxylic acid, 1,3-dihydro-1-oxo-, ethyl ester
CAS No: 18091-82-2 Catalog No: AG0022H0 MDL No:
Product Description
Catalog Number:
AG0022H0
Chemical Name:
2H-Isoindole-2-carboxylic acid, 1,3-dihydro-1-oxo-, ethyl ester
CAS Number:
18091-82-2
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
ethyl 3-oxo-1H-isoindole-2-carboxylate
InChI:
InChI=1S/C11H11NO3/c1-2-15-11(14)12-7-8-5-3-4-6-9(8)10(12)13/h3-6H,2,7H2,1H3
InChI Key:
COAMSDBMCWONOT-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1Cc2c(C1=O)cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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