CAS 102-39-6 | Acetic acid, 2,2'-[1,3-phenylenebis(oxy)]bis- | CAS Number 102-39-6

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102-39-6 | Acetic acid, 2,2'-[1,3-phenylenebis(oxy)]bis-

CAS No: 102-39-6 Catalog No: AG00068S MDL No:MFCD00016696

Product Description

Catalog Number:

AG00068S

Chemical Name:

Acetic acid, 2,2'-[1,3-phenylenebis(oxy)]bis-

CAS Number:

102-39-6

Molecular Formula:

C10H10O6

Molecular Weight:

226.1828

MDL Number:

MFCD00016696

IUPAC Name:

2-[3-(carboxymethoxy)phenoxy]acetic acid

InChI:

InChI=1S/C10H10O6/c11-9(12)5-15-7-2-1-3-8(4-7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)

InChI Key:

ZVMAGJJPTALGQB-UHFFFAOYSA-N

SMILES:

OC(=O)COc1cccc(c1)OCC(=O)O

EC Number:

203-027-8

UNII:

30S88G4869

NSC Number:

1855

Properties

Complexity:

228

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.184g/mol

Monoisotopic Mass:

226.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Effects of three types of oil dispersants on biodegradation of dispersed crude oil in water surrounding two Persian gulf provinces.	Journal of environmental and public health 20120101
Poly[[diaquabarium(II)]-mu5-m-phenylenedioxydiacetato]: a three-dimensional barium(II) coordination polymer.	Acta crystallographica. Section C, Crystal structure communications 20050701