AG003G08

6051-66-7 | 2,5-Dimethylterephthalic acid

AG003G08

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CAS Number	6051-66-7
Catalog Number	AG003G08(AGN-PC-0JPHLM)
Chemical Name	2,5-Dimethylterephthalic acid
IUPAC Name	2,5-dimethylterephthalic acid
InChI	InChI=1S/C10H10O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChI Key	FKUJGZJNDUGCFU-UHFFFAOYSA-N
MDL Number	MFCD00020292
Molecular Formula	C10H10O4
Molecular Weight	194.1840
NSC Number	174018
SMILES	CC1=CC(C(O)=O)=C(C)C=C1C(O)=O
Synonyms	2,5-Dimethylterephthalic Acid, 6051-66-7, 2,5-dimethylbenzene-1,4-dicarboxylic acid, 2,5-Dimethyl-1,4-benzenedicarboxylic acid, 1,4-Benzenedicarboxylicacid, 2,5-dimethyl-, 2,5-dimethylterephthalicacid, NSC174018, AC1Q2HPO, AC1L6VC0, ACMC-1B02U, SCHEMBL70135, CBDivE_002842, CTK2F8714, DTXSID30306082, FKUJGZJNDUGCFU-UHFFFAOYSA-N, ZINC2464506, ANW-33516, CK1085, MFCD00020292, RW1187, AKOS004907100, ACN-049306, AM84147, FCH1117683, MCULE-8751770738, NSC-174018, VZ22820, KS-0000166Z, AJ-35904, AK-35816, AS-18836, CC-07890, AB0030603, AX8011847, DB-005877, TR-020891, 4CH-021614, D2208, FT-0081153, FT-0635957, ST24038764, X2811, X-3461, 051D667, A832759, C-08664, C10H10O4, CID299989,

Complexity	223
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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