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Dimethyl Isophthalate

CAT: 1299-RG-D091391-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-D091391-01Size:10 mg
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CAS Number
1459-93-4
Synonyms
Dimethyl isophthalate
Molecular Formula
C10H10O4
Molecular Weight
194.18
Product Name Synonym
Dimethyl isophthalate

Chemical Information

Dimethyl isophthalate
CAS Number1459-93-4
PubChem CID15088
IUPAC Namedimethyl benzene-1,3-dicarboxylate
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP2.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity202
SMILES
COC(=O)C1=CC(=CC=C1)C(=O)OC
InChI
InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
InChIKey
VNGOYPQMJFJDLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl isophthalate
CAS: 1459-93-4
CID: 15088
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TYD-00815-01Dimethyl isophthalate
HY-W015028R-01Dimethyl isophthalate (Standard)
447130Dimethyl 2- (Benzyloxy) isophthalate
OR1041101-01Dimethyl 5- (benzyloxy) isophthalate
OR1066129-01Dimethyl 4- (bromomethyl) isophthalate
OR88336-01Dimethyl 5- (allyloxy) isophthalate
OR83379-01Dimethyl 5- (hydroxymethyl) isophthalate
OR1012929-01Dimethyl 5- (Bromomethyl) Isophthalate
OR1062460-01Dimethyl 2- (bromomethyl) isophthalate
FD113942Dimethyl 5-[ (chloroacetyl) amino]isophthalate

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