CAS 126424-85-9 | Acetic acid, 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]- | CAS Number 126424-85-9

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126424-85-9 | Acetic acid, 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-

CAS No: 126424-85-9 Catalog No: AG000SSU MDL No:MFCD00695616

Product Description

Catalog Number:

AG000SSU

Chemical Name:

Acetic acid, 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-

CAS Number:

126424-85-9

Molecular Formula:

C11H8O5

Molecular Weight:

220.1782

MDL Number:

MFCD00695616

IUPAC Name:

2-(2-oxochromen-7-yl)oxyacetic acid

InChI:

InChI=1S/C11H8O5/c12-10(13)6-15-8-3-1-7-2-4-11(14)16-9(7)5-8/h1-5H,6H2,(H,12,13)

InChI Key:

YENBPUAYKYLKSL-UHFFFAOYSA-N

SMILES:

OC(=O)COc1ccc2c(c1)oc(=O)cc2

Properties

Complexity:

322

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.18g/mol

Monoisotopic Mass:

220.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
A novel micelle of coumarin derivative monoend-functionalized PEG for anti-tumor drug delivery: in vitro and in vivo study.	Journal of drug targeting 20120401
Dimethyl-ammonium 2-[(2-oxo-2H-chromen-7-yl)-oxy]acetate.	Acta crystallographica. Section E, Structure reports online 20110501