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1227270-67-8 | 1H-Indole-4-carboxylic acid, 6-Methoxy-, Methyl ester
CAS No: 1227270-67-8 Catalog No: AG000J7D MDL No:
Product Description
Catalog Number:
AG000J7D
Chemical Name:
1H-Indole-4-carboxylic acid, 6-Methoxy-, Methyl ester
CAS Number:
1227270-67-8
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
methyl 6-methoxy-1H-indole-4-carboxylate
InChI:
InChI=1S/C11H11NO3/c1-14-7-5-9(11(13)15-2)8-3-4-12-10(8)6-7/h3-6,12H,1-2H3
InChI Key:
JJUYIAWIRXVZGD-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]ccc2c(c1)C(=O)OC
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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