AG0032N5

7325-46-4 | 1,4-Phenylenediacetic acid

AG0032N5

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CAS Number	7325-46-4
Catalog Number	AG0032N5(AGN-PC-0JLTGR)
Chemical Name	1,4-Phenylenediacetic acid
EC Number	230-801-2
IUPAC Name	2-[4-(carboxymethyl)phenyl]acetic acid
InChI	InChI=1S/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChI Key	SLWIPPZWFZGHEU-UHFFFAOYSA-N
MDL Number	MFCD00004354
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	C1(=CC=C(C=C1)CC(=O)O)CC(=O)O
Synonyms	1,4-Phenylenediacetic acid, 7325-46-4, 2,2'-(1,4-Phenylene)diacetic acid, p-Phenylenediacetic acid, 1,4-Benzenediacetic acid, 2-[4-(carboxymethyl)phenyl]acetic acid, 1,4-Phenylenediaceticacid, SLWIPPZWFZGHEU-UHFFFAOYSA-N, MFCD00004354, EINECS 230-801-2, p-Benzenediacetic acid, AC1Q5VIP, ACMC-209oq4, benzene-1,4-diacetic acid, 1.4-Phenylenediacetic acid, SCHEMBL69614, KSC378O7R, AC1L320Q, p-Phenylenediacetic acid, 97%, CTK2H8778, SLWIPPZWFZGHEU-UHFFFAOYSA-, DTXSID70223481, (4-carboxymethylphenyl)acetic acid, 1.4-Phenylenediacetic acid, 97%, KS-00000L5U, ANW-36314, SBB072146, ZINC12358784, [4-(carboxymethyl)phenyl]acetic acid, AKOS003368413, ACN-050975, LS10560, MCULE-1758863091, RTX-011509, TRA0060483, AC-24978, AJ-61333, AK-54647, BC205616, DS-14578, AB0065818, ST2415554, 2-[4-(carboxymethyl)phenyl]essigsäure, AM20041092, FT-0606926, P1433, ST45027542, Y-8696, 325P464, W-104460, InChI=1/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14), KST-1B8419, CID81760, AR-1B7447, 1,4-Phenylenediacetic acid, 97% 1g, C10-H10-O4, 1,4-Phenylenediacetic acid, 97% - 1G 1g, 76197-35-8, 110-58-7,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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