AG002B9T

19806-17-8 | 1,3-Benzenediacetic acid

AG002B9T

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WARNING This product is not for human or veterinary use.

CAS Number	19806-17-8
Catalog Number	AG002B9T(AGN-PC-0JKKY2)
Chemical Name	1,3-Benzenediacetic acid
EC Number	243-332-3
IUPAC Name	2-[3-(carboxymethyl)phenyl]acetic acid
InChI	InChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChI Key	GDYYIJNDPMFMTB-UHFFFAOYSA-N
MDL Number	MFCD00004341
Molecular Formula	C10H10O4
Molecular Weight	194.1840
NSC Number	75867
SMILES	O=C(O)CC1=CC=CC(CC(O)=O)=C1
UNII	ZQX9GRV3OO
Synonyms	19806-17-8, 2,2'-(1,3-Phenylene)diacetic acid, 1,3-Phenylenediacetic acid, m-Benzenediacetic acid, 1,3-Benzenediacetic acid, m-Phenylenediacetic acid, 2-[3-(carboxymethyl)phenyl]acetic acid, 1,3-Phenylenediaceticacid, ACETIC ACID, 2,2'-(m-PHENYLENE)DI-, UNII-ZQX9GRV3OO, ZQX9GRV3OO, EINECS 243-332-3, NSC 75867, BRN 2616749, GDYYIJNDPMFMTB-UHFFFAOYSA-N, 1,3-Phenylenediacetic acid, 97%, MFCD00004341, AK-54646, 1,3-Benzoldiessigsaure, 1,3-Benzenediaceticacid, ACMC-209f2h, benzene-1,3-diacetic acid, WLN: QV1R C1VQ, AC1L1I5T, 1,3-phenylene diacetic acid, SCHEMBL70565, CHEMBL1161933, CTK0H7724, GDYYIJNDPMFMTB-UHFFFAOYSA-, KS-00000LZG, DTXSID60173527, (3-carboxymethylphenyl)acetic acid, 1,3-Benzenediacetic acid (9CI), Acetic acid,2'-(m-phenylene)di-, ZINC157058, 3-(carboxymethyl)phenyl acetic acid, NSC75867, ANW-23799, NSC-75867, (3-carboxymethyl-phenyl)-acetic acid, AKOS015891019, ACN-050973, LS11283, MCULE-2333409297, 2-[3-(carboxylatomethyl)phenyl]acetate, ACM19806178, AJ-14862, DS-14577, LS-12735, OR350319, SY003522, AB0072744, AX8054290, DB-008025, ST2415553, TX-015846, 4CH-014419, AM20030281, FT-0082581, FT-0600418, P1064, ST50825363, MFCD00004341 (95%), C-33810, I01-8366, J-012790, InChI=1/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14), CID29788, C10-H10-O4, 3-09-00-04294 (Beilstein Handbook Reference), 1,3-Phenylenediacetic acid, 97% - 25G 25g,

Complexity	202
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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number