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Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O4
Molecular Weight 160.1678
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOMETHYL ADIPATE

SMILES

COC(=O)CCCCC(O)=O

InChI

InChIKey=UOBSVARXACCLLH-UHFFFAOYSA-N
InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)

HIDE SMILES / InChI
Molecular Formula C7H12O4
Molecular Weight 160.1678
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

2020
691
PubMed

PubMed

TitleDatePubMed
Oxidation of cyclohexanediol derivatives with 12-tungstophosphoric acid-hydrogen peroxide system.
2009
Patents

Patents

JP2010538959A
8
JPH03237197A
2
JPH0466685A
2
JPS5436211A
2
JPS58111872A
2
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:06:53 GMT 2025
Edited
by admin
on Mon Mar 31 22:06:53 GMT 2025
Record UNII
62S39VHD01
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOMETHYL ADIPATE
Systematic Name English
NSC-55113
Preferred Name English
ADIPIC ACID, METHYL ESTER
Systematic Name English
5-CARBOMETHOXYPENTANOIC ACID
Systematic Name English
ADIPIC ACID, MONOMETHYL ESTER
Systematic Name English
METHYL 5-CARBOXYPENTANOATE
Systematic Name English
METHYL HEMIADIPATE
Systematic Name English
NSC-9389
Code English
MONOMETHYL 1,6-HEXANEDIOATE
Systematic Name English
HEXANEDIOIC ACID, 1-METHYL ESTER
Common Name English
6-METHOXY-6-OXOHEXANOIC ACID
Systematic Name English
METHYL HEXANEDIOATE
Systematic Name English
METHYL HYDROGEN ADIPATE
Systematic Name English
HEXANEDIOIC ACID, MONOMETHYL ESTER
Systematic Name English
Code System Code Type Description
RXCUI
2287551
Created by admin on Mon Mar 31 22:06:53 GMT 2025 , Edited by admin on Mon Mar 31 22:06:53 GMT 2025
PRIMARY
NSC
9389
Created by admin on Mon Mar 31 22:06:53 GMT 2025 , Edited by admin on Mon Mar 31 22:06:53 GMT 2025
PRIMARY
PUBCHEM
12328
Created by admin on Mon Mar 31 22:06:53 GMT 2025 , Edited by admin on Mon Mar 31 22:06:53 GMT 2025
PRIMARY
FDA UNII
62S39VHD01
Created by admin on Mon Mar 31 22:06:53 GMT 2025 , Edited by admin on Mon Mar 31 22:06:53 GMT 2025
PRIMARY
CAS
627-91-8
Created by admin on Mon Mar 31 22:06:53 GMT 2025 , Edited by admin on Mon Mar 31 22:06:53 GMT 2025
PRIMARY
DAILYMED
62S39VHD01
Created by admin on Mon Mar 31 22:06:53 GMT 2025 , Edited by admin on Mon Mar 31 22:06:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID9044451
Created by admin on Mon Mar 31 22:06:53 GMT 2025 , Edited by admin on Mon Mar 31 22:06:53 GMT 2025
PRIMARY
ECHA (EC/EINECS)
211-019-0
Created by admin on Mon Mar 31 22:06:53 GMT 2025 , Edited by admin on Mon Mar 31 22:06:53 GMT 2025
PRIMARY
CHEBI
70855
Created by admin on Mon Mar 31 22:06:53 GMT 2025 , Edited by admin on Mon Mar 31 22:06:53 GMT 2025
PRIMARY
NSC
55113
Created by admin on Mon Mar 31 22:06:53 GMT 2025 , Edited by admin on Mon Mar 31 22:06:53 GMT 2025
PRIMARY
NIH
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