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1191905-07-3 | 1H-Indole-6-carboxylic acid, 1-[(6-methoxy-3-pyridinyl)methyl]-, methyl ester
CAS No: 1191905-07-3 Catalog No: AG000IAX MDL No:
Product Description
Catalog Number:
AG000IAX
Chemical Name:
1H-Indole-6-carboxylic acid, 1-[(6-methoxy-3-pyridinyl)methyl]-, methyl ester
CAS Number:
1191905-07-3
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
IUPAC Name:
methyl 1-[(6-methoxypyridin-3-yl)methyl]indole-6-carboxylate
InChI:
InChI=1S/C17H16N2O3/c1-21-16-6-3-12(10-18-16)11-19-8-7-13-4-5-14(9-15(13)19)17(20)22-2/h3-10H,11H2,1-2H3
InChI Key:
LCDUUMBCULDJKX-UHFFFAOYSA-N
SMILES:
COc1ccc(cn1)Cn1ccc2c1cc(cc2)C(=O)OC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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