2,5-Dimethylterephthalic acid

CAT: 0024-sc-483095Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-483095Size:1 g

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CAS Number

6051-66-7

Chemical Information

2,5-Dimethylterephthalic Acid

CAS Number	6051-66-7
PubChem CID	299989
IUPAC Name	2,5-dimethylterephthalic acid
Molecular Formula	C10H10O4
Molecular Weight	194.18
XLogP	1.7
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	223

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)

InChIKey

FKUJGZJNDUGCFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6051-66-7

CID: 299989

Formula: C10H10O4

MW: 194.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.18
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	194.05790880
Monoisotopic Mass	194.05790880
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	223
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-291848	Adipic acid-2,2,5,5-d4
sc-298559	2,2'-Bithiophene-5,5'-diboronic acid
sc-298559A	2,2'-Bithiophene-5,5'-diboronic acid
sc-226872	5- (2,5-Dichlorophenyl) -2-furoic acid
sc-225572	2,2'-Bipyridine-5,5'-dicarboxylic acid
sc-486240	2,5-Dichlorosulfanilic acid
sc-308879	2,5-Dichloronicotinic acid
sc-254361	2,5-Difluorophenylboronic acid
sc-231108	2,5-Difluorophenylacetic acid
sc-496001	2,5-Dimethyltetrahydrofolic acid

Catalog	Name
420650-01	2,5-Dimethylterephthalic Acid
OR1006252	2,6-Dimethylterephthalic acid
JH309611	2,2,5,5-tetramethylhexanedioic acid
DCA70545-01	2,5,5-Trimethylhexanoic acid
A1378-61	2-Amino-5-methylbenzoic Acid (5-Methylanthranilic Acid)
MBS6025078-01	5-Aminopicolinic Acid (5-Aminopyridine-2-carboxylic Acid)
1012470 5	2-Amino-5-iodobenzoic acid (5-Iodoanthranilic acid)
H9111-10	5-Hydroxypicolinic Acid (5-Hydroxy-2-pyridinecarboxylic Acid)
272448-01	5- (2,5-Dihydroxybenzylamino) -2-hydroxybenzoic acid
OR92726-01	[2,2'-Bithiophene]-5,5'-diyldiboronic acid