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16732-81-3 | 1H-Indole-2-carboxylic acid, 6-methyl-, ethyl ester
CAS No: 16732-81-3 Catalog No: AG001XBP MDL No:MFCD01878325
Product Description
Catalog Number:
AG001XBP
Chemical Name:
1H-Indole-2-carboxylic acid, 6-methyl-, ethyl ester
CAS Number:
16732-81-3
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD01878325
IUPAC Name:
ethyl 6-methyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-5-4-8(2)6-10(9)13-11/h4-7,13H,3H2,1-2H3
InChI Key:
IRFTXLHJKQYOJB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)cc(cc2)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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