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86026-89-3 | 2-((5-Hydroxy-9-methoxy-7-oxo-7H-furo(3,2-g)chromen-4-yl)oxy)propanoic acid
CAS No: 86026-89-3 Catalog No: AG004LS2 MDL No:
Product Description
Catalog Number:
AG004LS2
Chemical Name:
2-((5-Hydroxy-9-methoxy-7-oxo-7H-furo(3,2-g)chromen-4-yl)oxy)propanoic acid
CAS Number:
86026-89-3
Molecular Formula:
C15H12O8
Molecular Weight:
320.2510
IUPAC Name:
2-(5-hydroxy-9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)oxypropanoic acid
InChI:
InChI=1S/C15H12O8/c1-6(15(18)19)22-11-7-3-4-21-12(7)14(20-2)13-10(11)8(16)5-9(17)23-13/h3-6,16H,1-2H3,(H,18,19)
InChI Key:
ZDOPRYWKVWAMQZ-UHFFFAOYSA-N
SMILES:
COc1c2occc2c(c2c1oc(=O)cc2O)OC(C(=O)O)C
NSC Number:
350546
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.053g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.253g/mol
Monoisotopic Mass:
320.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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