AG00068S

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

AG00068S

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CAS Number	102-39-6
Catalog Number	AG00068S(AGN-PC-0JL7GJ)
Chemical Name	Acetic acid, 2,2'-[1,3-phenylenebis(oxy)]bis-
EC Number	203-027-8
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
MDL Number	MFCD00016696
Molecular Formula	C10H10O6
Molecular Weight	226.1828
NSC Number	1855
SMILES	OC(COC1=CC=CC(OCC(O)=O)=C1)=O
UNII	30S88G4869
Synonyms	102-39-6, resorcinol-o,o'-diacetic acid, 2,2'-(1,3-Phenylenebis(oxy))diacetic acid, m-Phenylenedioxydi(acetic acid), 2-[3-(carboxymethoxy)phenoxy]acetic acid, UNII-30S88G4869, MFCD00016696, 2,2'-[1,3-phenylenebis(oxy)]diacetic acid, 30S88G4869, Acetic acid,2,2'-[1,3-phenylenebis(oxy)]bis-, (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, 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-, 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-, C-57490, C10H10O6, CID66884, AR-1D0941, C10-H10-O6, 1029-94-3,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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