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1314077-71-8 | 1H-Indole-7-carboxylic acid, 4-Methyl-, ethyl ester
CAS No: 1314077-71-8 Catalog No: AG000W44 MDL No:MFCD20921658
Product Description
Catalog Number:
AG000W44
Chemical Name:
1H-Indole-7-carboxylic acid, 4-Methyl-, ethyl ester
CAS Number:
1314077-71-8
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD20921658
IUPAC Name:
ethyl 4-methyl-1H-indole-7-carboxylate
InChI:
InChI=1S/C12H13NO2/c1-3-15-12(14)10-5-4-8(2)9-6-7-13-11(9)10/h4-7,13H,3H2,1-2H3
InChI Key:
LLYHCIYDJPIZSQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c2c1[nH]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:
2.6
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