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1227268-79-2 | 1H-Indole-2-carboxylic acid, 3,6-dimethyl-, ethyl ester
CAS No: 1227268-79-2 Catalog No: AG000J3E MDL No:
Product Description
Catalog Number:
AG000J3E
Chemical Name:
1H-Indole-2-carboxylic acid, 3,6-dimethyl-, ethyl ester
CAS Number:
1227268-79-2
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
ethyl 3,6-dimethyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C13H15NO2/c1-4-16-13(15)12-9(3)10-6-5-8(2)7-11(10)14-12/h5-7,14H,4H2,1-3H3
InChI Key:
SJURTITYGXQWIW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1C)ccc(c2)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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