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136834-79-2 | 1H-Indene-2-carboxylic acid, 2-amino-2,3-dihydro-, ethyl ester, hydrochloride (1:1)
CAS No: 136834-79-2 Catalog No: AG0012GA MDL No:MFCD13191760
Product Description
Catalog Number:
AG0012GA
Chemical Name:
1H-Indene-2-carboxylic acid, 2-amino-2,3-dihydro-, ethyl ester, hydrochloride (1:1)
CAS Number:
136834-79-2
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD13191760
IUPAC Name:
ethyl 2-amino-1,3-dihydroindene-2-carboxylate;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c1-2-15-11(14)12(13)7-9-5-3-4-6-10(9)8-12;/h3-6H,2,7-8,13H2,1H3;1H
InChI Key:
QBRJBPUVWWEAQV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(N)Cc2c(C1)cccc2.Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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