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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12O2
Molecular Weight 188.2225
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-5-PHENYL-PENTADIENOIC ACID (2,4-TRANS)

SMILES

CC(\C=C\C1=CC=CC=C1)=C/C(O)=O

InChI

InChIKey=QBUCMPDJJMSFCR-XBLVEGMJSA-N
InChI=1S/C12H12O2/c1-10(9-12(13)14)7-8-11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14)/b8-7+,10-9+

HIDE SMILES / InChI

Molecular Formula C12H12O2
Molecular Weight 188.2225
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:12:14 GMT 2023
Edited
by admin
on Fri Dec 15 15:12:14 GMT 2023
Record UNII
DTW68OIN7G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-5-PHENYL-PENTADIENOIC ACID (2,4-TRANS)
Common Name English
3-METHYL-5-PHENYL-2-TRANS-4-TRANS-PENTADIENOIC ACID
Systematic Name English
2,4-PENTADIENOIC ACID, 3-METHYL-5-PHENYL-, (2E,4E)-
Systematic Name English
2,4-PENTADIENOIC ACID, 3-METHYL-5-PHENYL-, (E,E)-
Systematic Name English
(2E,4E)-3-METHYL-5-PHENYL-2,4-PENTADIENOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
1608573
Created by admin on Fri Dec 15 15:12:14 GMT 2023 , Edited by admin on Fri Dec 15 15:12:14 GMT 2023
PRIMARY
FDA UNII
DTW68OIN7G
Created by admin on Fri Dec 15 15:12:14 GMT 2023 , Edited by admin on Fri Dec 15 15:12:14 GMT 2023
PRIMARY
CAS
20430-13-1
Created by admin on Fri Dec 15 15:12:14 GMT 2023 , Edited by admin on Fri Dec 15 15:12:14 GMT 2023
PRIMARY