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116691-00-0 | 1(4H)-Pyridinecarboxylic acid, 4-(1-methyl-1H-indol-3-yl)-, phenyl ester
CAS No: 116691-00-0 Catalog No: AG000CZN MDL No:
Product Description
Catalog Number:
AG000CZN
Chemical Name:
1(4H)-Pyridinecarboxylic acid, 4-(1-methyl-1H-indol-3-yl)-, phenyl ester
CAS Number:
116691-00-0
Molecular Formula:
C21H18N2O2
Molecular Weight:
330.3798
IUPAC Name:
phenyl 4-(1-methylindol-3-yl)-4H-pyridine-1-carboxylate
InChI:
InChI=1S/C21H18N2O2/c1-22-15-19(18-9-5-6-10-20(18)22)16-11-13-23(14-12-16)21(24)25-17-7-3-2-4-8-17/h2-16H,1H3
InChI Key:
VQFHARQXOFWEGV-UHFFFAOYSA-N
SMILES:
O=C(N1C=CC(C=C1)c1cn(c2c1cccc2)C)Oc1ccccc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.387g/mol
Monoisotopic Mass:
330.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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