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119563-94-9 | 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-(3,4,5-trimethoxyphenyl)-
CAS No: 119563-94-9 Catalog No: AG000IY5 MDL No:
Product Description
Catalog Number:
AG000IY5
Chemical Name:
4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-(3,4,5-trimethoxyphenyl)-
CAS Number:
119563-94-9
Molecular Formula:
C19H16O7
Molecular Weight:
356.3261
IUPAC Name:
4-oxo-2-(3,4,5-trimethoxyphenyl)chromene-3-carboxylic acid
InChI:
InChI=1S/C19H16O7/c1-23-13-8-10(9-14(24-2)18(13)25-3)17-15(19(21)22)16(20)11-6-4-5-7-12(11)26-17/h4-9H,1-3H3,(H,21,22)
InChI Key:
YCSNHAFEDLDNJW-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1oc2ccccc2c(=O)c1C(=O)O
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.09g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.33g/mol
Monoisotopic Mass:
356.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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