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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O5
Molecular Weight 224.21
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-BENZENEDICARBOXYLIC ACID, 1-(2-HYDROXYETHYL) 4-METHYL ESTER

SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCCO

InChI

InChIKey=DJQMYWWZWUOCBQ-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C11H12O5
Molecular Weight 224.21
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:44:18 GMT 2025
Edited
by admin
on Tue Apr 01 17:44:18 GMT 2025
Record UNII
QR42U3BY92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXYETHYL METHYL TEREPHTHALATE
Preferred Name English
1,4-BENZENEDICARBOXYLIC ACID, 1-(2-HYDROXYETHYL) 4-METHYL ESTER
Systematic Name English
.BETA.-HYDROXYETHYL METHYL TEREPHTHALATE
Systematic Name English
1-(2-HYDROXYETHYL) 4-METHYL BENZENE-1,4-DICARBOXYLATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
222-877-0
Created by admin on Tue Apr 01 17:44:18 GMT 2025 , Edited by admin on Tue Apr 01 17:44:18 GMT 2025
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FDA UNII
QR42U3BY92
Created by admin on Tue Apr 01 17:44:18 GMT 2025 , Edited by admin on Tue Apr 01 17:44:18 GMT 2025
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CAS
3645-00-9
Created by admin on Tue Apr 01 17:44:18 GMT 2025 , Edited by admin on Tue Apr 01 17:44:18 GMT 2025
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PUBCHEM
77207
Created by admin on Tue Apr 01 17:44:18 GMT 2025 , Edited by admin on Tue Apr 01 17:44:18 GMT 2025
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EPA CompTox
DTXSID9063112
Created by admin on Tue Apr 01 17:44:18 GMT 2025 , Edited by admin on Tue Apr 01 17:44:18 GMT 2025
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