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14222-11-8 | 2H-1-Benzopyran-2-one, 7-hydroxy-8-(1-piperidinylmethyl)-4-(3-pyridinyl)-
CAS No: 14222-11-8 Catalog No: AG001HZX MDL No:
Product Description
Catalog Number:
AG001HZX
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-8-(1-piperidinylmethyl)-4-(3-pyridinyl)-
CAS Number:
14222-11-8
Molecular Formula:
C20H20N2O3
Molecular Weight:
336.3844
IUPAC Name:
7-hydroxy-8-(piperidin-1-ylmethyl)-4-pyridin-3-ylchromen-2-one
InChI:
InChI=1S/C20H20N2O3/c23-18-7-6-15-16(14-5-4-8-21-12-14)11-19(24)25-20(15)17(18)13-22-9-2-1-3-10-22/h4-8,11-12,23H,1-3,9-10,13H2
InChI Key:
LZKXMLUODBKQDD-UHFFFAOYSA-N
SMILES:
O=c1oc2c(CN3CCCCC3)c(O)ccc2c(c1)c1cccnc1
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.391g/mol
Monoisotopic Mass:
336.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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