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127168-90-5 | 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-, methyl ester, hydrochloride (1:1)
CAS No: 127168-90-5 Catalog No: AG000WQ7 MDL No:MFCD10700133
Product Description
Catalog Number:
AG000WQ7
Chemical Name:
1H-Isoindole-4-carboxylic acid, 2,3-dihydro-, methyl ester, hydrochloride (1:1)
CAS Number:
127168-90-5
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD10700133
IUPAC Name:
methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C10H11NO2.ClH/c1-13-10(12)8-4-2-3-7-5-11-6-9(7)8;/h2-4,11H,5-6H2,1H3;1H
InChI Key:
ZEOILCADGXBXQW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1CNC2.Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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