Home Carboxys 3,3-dimethyl-2,3-dihydro-1H-indole-2-carboxylic acid hydrochloride

3,3-dimethyl-2,3-dihydro-1H-indole-2-carboxylic acid hydrochloride

CAS No.:
106517-46-8
Catalog Number:
AG01ELIL
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
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Product Description
Catalog Number:
AG01ELIL
Chemical Name:
3,3-dimethyl-2,3-dihydro-1H-indole-2-carboxylic acid hydrochloride
CAS Number:
106517-46-8
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD31616161
IUPAC Name:
3,3-dimethyl-1,2-dihydroindole-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-11(2)7-5-3-4-6-8(7)12-9(11)10(13)14;/h3-6,9,12H,1-2H3,(H,13,14);1H
InChI Key:
PBWKATUQKQGAHS-UHFFFAOYSA-N
SMILES:
OC(=O)C1Nc2c(C1(C)C)cccc2.Cl
Properties
Complexity:
250  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties