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16426-83-8 | 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(3-pyridinylcarbonyl)-
CAS No: 16426-83-8 Catalog No: AG001UR6 MDL No:
Product Description
Catalog Number:
AG001UR6
Chemical Name:
1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(3-pyridinylcarbonyl)-
CAS Number:
16426-83-8
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
IUPAC Name:
2-[5-methoxy-2-methyl-1-(pyridine-3-carbonyl)indol-3-yl]acetic acid
InChI:
InChI=1S/C18H16N2O4/c1-11-14(9-17(21)22)15-8-13(24-2)5-6-16(15)20(11)18(23)12-4-3-7-19-10-12/h3-8,10H,9H2,1-2H3,(H,21,22)
InChI Key:
DDQOEXWUZHRSOZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1cccnc1)C
EC Number:
240-479-5
UNII:
6EYW73T7SG
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.336g/mol
Monoisotopic Mass:
324.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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