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920009-26-3 | 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(5-methoxy-1H-indol-3-yl)-
CAS No: 920009-26-3 Catalog No: AG006G68 MDL No:
Product Description
Catalog Number:
AG006G68
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(5-methoxy-1H-indol-3-yl)-
CAS Number:
920009-26-3
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
IUPAC Name:
4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
InChI:
InChI=1S/C15H16N2O3/c1-20-11-2-3-14-12(8-11)13(9-16-14)10-4-6-17(7-5-10)15(18)19/h2-4,8-9,16H,5-7H2,1H3,(H,18,19)
InChI Key:
RPKNBISKFNUSTB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[nH]2)C1=CCN(CC1)C(=O)O
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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