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72133-55-2 | 2-Pyridinecarboxylicacid, 5-butoxy-, 2,3-dihydro-1H-inden-5-yl ester
CAS No: 72133-55-2 Catalog No: AG005K4T MDL No:
Product Description
Catalog Number:
AG005K4T
Chemical Name:
2-Pyridinecarboxylicacid, 5-butoxy-, 2,3-dihydro-1H-inden-5-yl ester
CAS Number:
72133-55-2
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
2,3-dihydro-1H-inden-5-yl 5-butoxypyridine-2-carboxylate
InChI:
InChI=1S/C19H21NO3/c1-2-3-11-22-17-9-10-18(20-13-17)19(21)23-16-8-7-14-5-4-6-15(14)12-16/h7-10,12-13H,2-6,11H2,1H3
InChI Key:
LIFCWPVHMDYZHU-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(nc1)C(=O)Oc1ccc2c(c1)CCC2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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