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Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O5
Molecular Weight 210.1834
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL 4-HYDROXYISOPHTHALATE

SMILES

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

InChI

InChIKey=ALBUJVBOIXVVLS-UHFFFAOYSA-N
InChI=1S/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H10O5
Molecular Weight 210.1834
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:13:52 UTC 2023
Edited
by admin
on Fri Dec 15 16:13:52 UTC 2023
Record UNII
M57C256V9R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYL 4-HYDROXYISOPHTHALATE
Systematic Name English
4-HYDROXYISOPHTHALIC ACID DIMETHYL ESTER [MI]
Common Name English
METHYL SALICYLATE IMPURITY E [EP IMPURITY]
Common Name English
NSC-109108
Code English
1,3-BENZENEDICARBOXYLIC ACID, 4-HYDROXY-, DIMETHYL ESTER
Common Name English
METHYL SALICYLATE RELATED COMPOUND A [USP-RS]
Common Name English
4-HYDROXYISOPHTHALIC ACID DIMETHYL ESTER
MI  
Systematic Name English
ISOPHTHALIC ACID, 4-HYDROXY-, DIMETHYL ESTER
Common Name English
METHYL SALICYLATE RELATED COMPOUND A
USP-RS  
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1437461
Created by admin on Fri Dec 15 16:13:52 UTC 2023 , Edited by admin on Fri Dec 15 16:13:52 UTC 2023
PRIMARY
CAS
5985-24-0
Created by admin on Fri Dec 15 16:13:52 UTC 2023 , Edited by admin on Fri Dec 15 16:13:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID7064075
Created by admin on Fri Dec 15 16:13:52 UTC 2023 , Edited by admin on Fri Dec 15 16:13:52 UTC 2023
PRIMARY
FDA UNII
M57C256V9R
Created by admin on Fri Dec 15 16:13:52 UTC 2023 , Edited by admin on Fri Dec 15 16:13:52 UTC 2023
PRIMARY
NSC
109108
Created by admin on Fri Dec 15 16:13:52 UTC 2023 , Edited by admin on Fri Dec 15 16:13:52 UTC 2023
PRIMARY
ECHA (EC/EINECS)
227-803-0
Created by admin on Fri Dec 15 16:13:52 UTC 2023 , Edited by admin on Fri Dec 15 16:13:52 UTC 2023
PRIMARY
PUBCHEM
80087
Created by admin on Fri Dec 15 16:13:52 UTC 2023 , Edited by admin on Fri Dec 15 16:13:52 UTC 2023
PRIMARY
MERCK INDEX
m6136
Created by admin on Fri Dec 15 16:13:52 UTC 2023 , Edited by admin on Fri Dec 15 16:13:52 UTC 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP