Dimethyl 2-methylterephthalate

CAT: 0127-OR81200-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR81200-01Size:100 mg

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CAS Number

14186-60-8

MDL Number

MFCD11502730

Purity

98%

Smiles

O=C(C1=CC=C(C=C1C)C(OC)=O)OC

Chemical Information

1,4-Benzenedicarboxylic acid, 2-methyl-, 1,4-dimethyl ester

CAS Number	14186-60-8
PubChem CID	84245
IUPAC Name	dimethyl 2-methylbenzene-1,4-dicarboxylate
Molecular Formula	C11H12O4
Molecular Weight	208.21
XLogP	2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	249

SMILES

CC1=C(C=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C11H12O4/c1-7-6-8(10(12)14-2)4-5-9(7)11(13)15-3/h4-6H,1-3H3

InChIKey

DXIRJLBDSXBZCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14186-60-8

CID: 84245

Formula: C11H12O4

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	208.07355886
Monoisotopic Mass	208.07355886
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	249
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

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