AG00546Y

80238-12-6 | 2,6-Dimethylterephthalic acid

AG00546Y

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CAS Number	80238-12-6
Catalog Number	AG00546Y(AGN-PC-0JOJE1)
Chemical Name	2,6-Dimethylterephthalic acid
IUPAC Name	2,6-dimethylterephthalic acid
InChI	InChI=1S/C10H10O4/c1-5-3-7(9(11)12)4-6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChI Key	SIQYOFNSIZEILQ-UHFFFAOYSA-N
MDL Number	MFCD00182548
Molecular Formula	C10H10O4
Molecular Weight	194.1840
NSC Number	59898
SMILES	O=C(O)C1=C(C)C=C(C(O)=O)C=C1C
Synonyms	2,6-dimethylterephthalic acid, 80238-12-6, 2,6-Dimethyl-terephthalic Acid, AK-88585, 1,4-Benzenedicarboxylic acid, 2,6-dimethyl-, AE-562/43458751, NSC59898, AC1L6IEZ, SCHEMBL69007, CTK3F0592, KS-00000PUC, DTXSID50289227, SIQYOFNSIZEILQ-UHFFFAOYSA-N, ZINC390998, ANW-45750, MFCD00182548, NSC-59898, AKOS015998935, CS-W005737, DS-1910, FCH1144329, MP-1247, AJ-21018, 2,6-Dimethyl-1,4-benzenedicarboxylic acid, 2,6-dimethylbenzene-1,4-dicarboxylic acid, AB0026791, AX8227439, TC-134495, 1,4-Benzenedicarboxylicacid, 2,6-dimethyl-, 4CH-011583, FT-0698851, ST24021590, W8535, 2,6-Dimethylterephthalicacid, C10H10O4, CID246594,

Complexity	237
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	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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