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16795-27-0 | 2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(3-pyridinyl)-
CAS No: 16795-27-0 Catalog No: AG001XPW MDL No:
Product Description
Catalog Number:
AG001XPW
Chemical Name:
2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(3-pyridinyl)-
CAS Number:
16795-27-0
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
3-(3,4-dihydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
InChI:
InChI=1S/C14H11NO3/c16-12(11-2-1-7-15-9-11)5-3-10-4-6-13(17)14(18)8-10/h1-9,17-18H
InChI Key:
FGVWMVPACIUGMM-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)C=Cc1ccc(c(c1)O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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