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87626-98-0 | 2-[2-(3,4-dimethoxyphenyl)-4-oxo-chromen-8-yl]acetic acid
CAS No: 87626-98-0 Catalog No: AG004HW0 MDL No:
Product Description
Catalog Number:
AG004HW0
Chemical Name:
2-[2-(3,4-dimethoxyphenyl)-4-oxo-chromen-8-yl]acetic acid
CAS Number:
87626-98-0
Molecular Formula:
C19H16O6
Molecular Weight:
340.3267
IUPAC Name:
2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-8-yl]acetic acid
InChI:
InChI=1S/C19H16O6/c1-23-15-7-6-11(8-17(15)24-2)16-10-14(20)13-5-3-4-12(9-18(21)22)19(13)25-16/h3-8,10H,9H2,1-2H3,(H,21,22)
InChI Key:
LNDUOIQFBOCAPW-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(ccc2)CC(=O)O
NSC Number:
358317
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.095g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.331g/mol
Monoisotopic Mass:
340.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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