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1311258-57-7 | 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-, ethyl ester
CAS No: 1311258-57-7 Catalog No: AG000VKK MDL No:MFCD31458800
Product Description
Catalog Number:
AG000VKK
Chemical Name:
1H-Isoindole-4-carboxylic acid, 2,3-dihydro-, ethyl ester
CAS Number:
1311258-57-7
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD31458800
IUPAC Name:
ethyl 2,3-dihydro-1H-isoindole-4-carboxylate
InChI:
InChI=1S/C11H13NO2/c1-2-14-11(13)9-5-3-4-8-6-12-7-10(8)9/h3-5,12H,2,6-7H2,1H3
InChI Key:
KUGFBSVSLMWHPZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1CNC2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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