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2-Hydroxyethyl methyl terephthalate (Standard)

CAT: 0804-HY-W340552RSize: 1 EachDry Ice: NoHazardous: No
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Description
2-Hydroxyethyl methyl terephthalate (Standard) is the analytical standard of 2-Hydroxyethyl methyl terephthalate. This product is intended for research and analytical applications.
CAS Number
3645-00-9
UNSPSC
12352005
Target
Reference Standards
Related Pathways
Others
Smiles
COC(=O)C1=CC=C(C=C1)C(=O)OCCO
Molecular Formula
C11H12O5
Molecular Weight
224.21
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

1,4-Benzenedicarboxylic acid, 1-(2-hydroxyethyl) 4-methyl ester
CAS Number3645-00-9
PubChem CID77207
IUPAC Name4-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylate
Molecular FormulaC11H12O5
Molecular Weight224.21
XLogP1
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity243
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)OCCO
InChI
InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3
InChIKey
DJQMYWWZWUOCBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Benzenedicarboxylic acid, 1-(2-hydroxyethyl) 4-methyl ester
CAS: 3645-00-9
CID: 77207
Formula: C11H12O5
MW: 224.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.21
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass224.06847348
Monoisotopic Mass224.06847348
Topological Polar Surface Area72.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity243
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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