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102-39-6,MFCD00016696
Catalog No.:AA000660
102-39-6 | Acetic acid, 2,2'-[1,3-phenylenebis(oxy)]bis-
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Technical Information
Catalog Number:
AA000660
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
Computed Properties
 
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.048g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.184g/mol
Monoisotopic Mass:
226.048g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
102-39-6 
resorcinol-o,o'-diacetic acid 
(m-Phenylenedioxy)diacetic acid 
m-phenylenedioxydi 
EINECS 203-027-8 
AC1Q5WQW 
2,2'-[1,3-phenylenebis(oxy)]bis-acetic acid 
AC1L26DK 
Oprea1_092905 
Oprea1_778572 
m-phenylenedioxydi-acetic acid 
SCHEMBL413254 
2,2'-(1,3-Phenylenebis(oxy))diacetic acid 
AC1Q765H 
1,3-Bis(carboxymethoxy)benzene 
Resorcinol-O,O''-diacetic acid 
CTK4A0996 
DTXSID40144513 
NSC1855 
ZINC332363 
(1,3-Phenylenedioxy)diacetic acid 
(1,3-Phenylene)bisoxydiacetic acid 
Acetic acid, (m-phenylenedioxy)di- 
m-Phenylenedioxydi(acetic acid) 
NSC-1855 
5658AF 
AKOS003233462 
MCULE-7062458274 
2-[3-(carboxymethyloxy)phenoxy]acetic acid 
FT-0755944 
ST50409332 
Acetic acid,2'-[1,3-phenylenebis(oxy)]bis- 
2-[3-(2-hydroxy-2-oxoethoxy)phenoxy]acetic acid 
Acetic acid, 2,2'-[1,3-phenylenebis(oxy)]bis- 
2-[3-(carboxymethoxy)phenoxy]acetic acid 
C-57490 
C10H10O6 
CID66884 
AR-1D0941 
C10-H10-O6 
1029-94-3 
UNII-30S88G4869 
MFCD00016696 
2,2'-[1,3-phenylenebis(oxy)]diacetic acid 
30S88G4869 
Acetic acid,2,2'-[1,3-phenylenebis(oxy)]bis- 
Literature

Title: Effects of three types of oil dispersants on biodegradation of dispersed crude oil in water surrounding two Persian gulf provinces.

Journal: Journal of environmental and public health 20120101

Title: Poly[[diaquabarium(II)]-mu5-m-phenylenedioxydiacetato]: a three-dimensional barium(II) coordination polymer.

Journal: Acta crystallographica. Section C, Crystal structure communications 20050701

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