AG00IA5C

569-51-7 | Benzene-1,2,3-tricarboxylic acid

AG00IA5C

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CAS Number	569-51-7
Catalog Number	AG00IA5C(AGN-PC-0WAJSX)
Chemical Name	Benzene-1,2,3-tricarboxylic acid
EC Number	209-317-0
IUPAC Name	benzene-1,2,3-tricarboxylic acid
InChI	InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChI Key	UJMDYLWCYJJYMO-UHFFFAOYSA-N
MDL Number	MFCD00149097
Molecular Formula	C9H6O6
Molecular Weight	210.1403
NSC Number	401092
SMILES	O=C(C1=CC=CC(C(O)=O)=C1C(O)=O)O
UNII	CKU8PTZ7M8
Synonyms	1,2,3-benzenetricarboxylate, 1,2,3-benzyltricarboxylate, benzene 1,2,3-tricarboxylic acid, benzene 1,2,3-tricarboxylic acid, copper salt, Benzene-1,2,3-tricarboxylic acid, 1,2,3-Benzenetricarboxylic acid, 569-51-7, HEMIMELLITIC ACID, 1,2,3-Tribenzoic acid, Benzenetricarboxylic acid, UNII-CKU8PTZ7M8, 1,2,3-Tricarboxybenzene, 36362-97-7, CKU8PTZ7M8, UJMDYLWCYJJYMO-UHFFFAOYSA-N, 1,2,3-benzenetricarboxylate, HemimelliticAcid, Benzene 1,2,3-tricarboxylic acid, 3GQ, EINECS 209-317-0, NSC 401092, 1,3-Tricarboxybenzene, PubChem14060, ACMC-1ARWP, benzene tricarboxylic acid, DSSTox_CID_1486, AC1L1X1C, DSSTox_RID_76180, DSSTox_GSID_21486, SCHEMBL23288, 1,3-Benzenetricarboxylic acid, GTPL4701, CHEMBL1161013, DTXSID8021486, 1,2,3-benzene tricarboxylic acid, ZINC388710, ACN-S004350, ACT09867, Tox21_200979, AM1084, ANW-43683, MFCD00002468, NSC401092, SBB058733, AKOS015889415, GS-3056, MCULE-3746122728, NSC-401092, RP26550, VZ20352, 1,2,3-BENZENTRICARBOXYLIC ACID, NCGC00248891-01, NCGC00258532-01, AC-12649, AJ-20746, AK-59532, AN-45982, BC204994, BR-59532, SY017131, AB0006873, CAS-36362-97-7, DB-018724, RT-001860, ST2419105, TL8003672, B0801, FT-0606212, ST51037606, Benzene-1,2,3-Tricarboxylatehemimellitic Acid, KS-00001701, M-2102, 569H517, A831252, I01-1789, W-105495, 1,2,3-Benzenetricarboxylic acid hydrate, >=98.0% (calc. based on dry substance, T), InChI=1/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15, D05UYC, C9H6O6, C9-H6-O6, CID11288, 1,2,3-Benzenetricarboxylic acid hydrate, 1,2,3-Benzenetricarboxylic acid, dihydrate, H1592, 27252-21-7,

Complexity	275
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 Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number