AG003DB0

528-44-9 | Benzene-1,2,4-tricarboxylic acid

AG003DB0

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CAS Number	528-44-9
Catalog Number	AG003DB0(AGN-PC-0JK9NX)
Chemical Name	Benzene-1,2,4-tricarboxylic acid
EC Number	208-432-3
IUPAC Name	benzene-1,2,4-tricarboxylic acid
InChI	InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChI Key	ARCGXLSVLAOJQL-UHFFFAOYSA-N
MDL Number	MFCD00002470
Molecular Formula	C9H6O6
Molecular Weight	210.1403
NSC Number	72986
SMILES	O=C(C1=CC=C(C(O)=O)C=C1C(O)=O)O
UNII	7NVY29MQ5F
Synonyms	1,2,4-tricarboxybenzene, trimellitic acid, trimellitic acid, cobalt (+2) salt (1:1), trimellitic acid, copper salt, 1,2,4-Benzenetricarboxylic acid, 528-44-9, TRIMELLITIC ACID, Benzene-1,2,4-tricarboxylic acid, 1,2,4-Tricarboxybenzene, 4-Carboxyphthalic acid, 1,3,4-Benzenetricarboxylic acid, 1,4,5-Benzenetricarboxylic acid, 1,2,4-Benzenetricarboxylicacid, UNII-7NVY29MQ5F, EINECS 208-432-3, NSC 72986, BRN 2214815, 7NVY29MQ5F, CHEBI:166055, ARCGXLSVLAOJQL-UHFFFAOYSA-N, MFCD00002470, DSSTox_CID_1487, DSSTox_RID_76181, DSSTox_GSID_21487, 1,2,4-Benzenetricarboxylic acid, 98%, CAS-528-44-9, 1,4-Tricarboxybenzene, PubChem14508, WLN: QVR BVQ DVQ, AC1L1VS2, SCHEMBL23861, 4-09-00-03746 (Beilstein Handbook Reference), 1,4-Benzenetricarboxylic acid, AC1Q72Z0, CHEMBL296024, DTXSID3021487, CTK1G9861, HMS1668A11, ZINC105301, ACT06811, KS-00000CM6, NSC72986, Tox21_201939, Tox21_302990, ANW-31567, BBL011593, NSC-72986, SBB060455, STL163328, AKOS005716310, CCG-245088, LS10175, MCULE-7395677755, NE49208, RTR-018717, TRA0084463, NCGC00164021-01, NCGC00164021-02, NCGC00256331-01, NCGC00259488-01, AC-12673, AJ-11189, AN-45585, AS-17898, LS-32230, SC-52406, SY010192, 1,2,4-Benzenetricarboxylic acid, >=99%, DB-071592, ST2406639, TR-018717, B0042, EU-0066742, FT-0622640, ST50307841, V2387, EN300-35500, MFCD00002470 (98%), I01-7511, Z1245537962, InChI=1/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15, C9H6O6, trimellitic acid, copper salt, 1,5-Benzenetricarboxylic acid, C9-H6-O6, CID10708, A7713, trimellitic acid, cobalt (+2) salt (1:1), C014871, 1,2,4-Benzenetricarboxylic acid, 98% - 100G 100g, TMA, 54699-35-3,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.016g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	210.141g/mol
Monoisotopic Mass	210.016g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number