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131814-57-8 | Propanoic acid, 2-[[3-(2-fluorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-, methyl ester
CAS No: 131814-57-8 Catalog No: AG000ZS9 MDL No:
Product Description
Catalog Number:
AG000ZS9
Chemical Name:
Propanoic acid, 2-[[3-(2-fluorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-, methyl ester
CAS Number:
131814-57-8
Molecular Formula:
C19H15FO5
Molecular Weight:
342.3178
IUPAC Name:
methyl 2-[3-(2-fluorophenyl)-4-oxochromen-7-yl]oxypropanoate
InChI:
InChI=1S/C19H15FO5/c1-11(19(22)23-2)25-12-7-8-14-17(9-12)24-10-15(18(14)21)13-5-3-4-6-16(13)20/h3-11H,1-2H3
InChI Key:
VAQYDTIMHYEPIJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(Oc1ccc2c(c1)occ(c2=O)c1ccccc1F)C
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.322g/mol
Monoisotopic Mass:
342.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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