2,5-Dimethylterephthalic acid

Catalog Number	ACM6051667-2
CAS	6051-66-7
Structure
Synonyms	2,5-Dimethyl-1,4-benzenedicarboxylic acid; 2,5-dimethylbenzene-1,4-dicarboxylic acid
IUPAC Name	2,5-dimethylterephthalic acid
Molecular Weight	194.18
Molecular Formula	C10H10O4
Canonical SMILES	CC1=CC(=C(C=C1C(=O)O)C)C(=O)O
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
Boiling Point	386.8±30.0 °C(Predicted)
Melting Point	283 °C (dec.)
Purity	98%
Density	1.320±0.06 g/cm3(Predicted)
Appearance	White solid
Complexity	223
Covalently-Bonded Unit Count	1
Exact Mass	194.057909g/mol
Formal Charge	0
Heavy Atom Count	14
MDL Number	MFCD00020292
Monoisotopic Mass	194.057909g/mol
Rotatable Bond Count	2