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1311254-57-5 | 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-, ethyl ester, hydrochloride (1:1)
CAS No: 1311254-57-5 Catalog No: AG000VKU MDL No:
Product Description
Catalog Number:
AG000VKU
Chemical Name:
1H-Isoindole-4-carboxylic acid, 2,3-dihydro-, ethyl ester, hydrochloride (1:1)
CAS Number:
1311254-57-5
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
IUPAC Name:
ethyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-2-14-11(13)9-5-3-4-8-6-12-7-10(8)9;/h3-5,12H,2,6-7H2,1H3;1H
InChI Key:
RNFFUJIMDNSFTL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1CNC2.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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