AG001JSF

14458-05-0 | 2，3，5，6-Tetramethylterephthalic acid

AG001JSF

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CAS Number	14458-05-0
Catalog Number	AG001JSF(AGN-PC-0JNWPD)
Chemical Name	2，3，5，6-Tetramethylterephthalic acid
IUPAC Name	2,3,5,6-tetramethylterephthalic acid
InChI	InChI=1S/C12H14O4/c1-5-6(2)10(12(15)16)8(4)7(3)9(5)11(13)14/h1-4H3,(H,13,14)(H,15,16)
InChI Key	NEOZDUDLYDUOTE-UHFFFAOYSA-N
MDL Number	MFCD00020290
Molecular Formula	C12H14O4
Molecular Weight	222.2372
NSC Number	93949
SMILES	O=C(O)C1=C(C)C(C)=C(C(O)=O)C(C)=C1C
Synonyms	2,3,5,6-tetramethyl-1,4-benzenedicarboxylic acid, TBDC acid, tetramethyl-terephthalic acid, 14458-05-0, 2,3,5,6-tetramethylterephthalic acid, TETRAMETHYLTEREPHTHALIC ACID, 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetramethyl-, 2,3,5,6-tetramethylbenzene-1,4-dicarboxylic acid, 1,4-Benzenedicarboxylicacid, 2,3,5,6-tetramethyl-, NSC93949, AC1Q5TEL, AC1L65JG, Tetramethyl terephthalic acid, SCHEMBL842692, CTK0I0679, DTXSID60294069, NEOZDUDLYDUOTE-UHFFFAOYSA-N, ALBB-025960, ZINC1609586, ZX-AN024472, 2,3,5,6-Tetramethylterephthalicacid, MFCD00020290, NSC-93949, SBB072768, AKOS003298277, MCULE-6605919323, ML01057, 2,3,5,6-Tetramethyl-terephthalic Acid, tetramethylbenzene-1,4-dicarboxylic acid, AS-47763, ST088051, TX-012254, FT-0687147, R1398, A808306, 2,3,5,6-Tetramethyl-1,4-benzenedicarboxylic Acid, 1, 2,3,5,6-tetramethyl-, AR-1D2134, CID261543, 2,3,5,6-Tetramethylterephthalic acid, 97% - 500MG 500mg, 1450-14-2,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.089g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.24g/mol
Monoisotopic Mass	222.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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