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115891-09-3 | 3-Pyridinecarboxylic acid, 2-[(2,3-dihydro-1H-inden-5-yl)amino]-
CAS No: 115891-09-3 Catalog No: AG000H2F MDL No:
Product Description
Catalog Number:
AG000H2F
Chemical Name:
3-Pyridinecarboxylic acid, 2-[(2,3-dihydro-1H-inden-5-yl)amino]-
CAS Number:
115891-09-3
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
2-(2,3-dihydro-1H-inden-5-ylamino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C15H14N2O2/c18-15(19)13-5-2-8-16-14(13)17-12-7-6-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2,(H,16,17)(H,18,19)
InChI Key:
DOQPGVLWJRLZIV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1Nc1ccc2c(c1)CCC2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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