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Details

Stereochemistry RACEMIC
Molecular Formula C6H10O2
Molecular Weight 114.1424
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-3-PENTENOIC ACID, (3E)-

SMILES

C\C=C\C(C)C(O)=O

InChI

InChIKey=NFRJJFMXYKSRPK-ONEGZZNKSA-N
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+

HIDE SMILES / InChI

Molecular Formula C6H10O2
Molecular Weight 114.1424
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 23:04:58 GMT 2023
Edited
by admin
on Fri Dec 15 23:04:58 GMT 2023
Record UNII
2ZQ5618KOJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-3-PENTENOIC ACID, (3E)-
Common Name English
2-METHYL-TRANS-3-PENTENOIC ACID
Systematic Name English
2-METHYL-TRANS-3-PENTENOIC ACID, (±)-
Common Name English
(±)-2-METHYL-TRANS-3-PENTENOIC ACID
Systematic Name English
FEMA NO. 3464, E-
Code English
3-PENTENOIC ACID, 2-METHYL-, (3E)-
Common Name English
3-PENTENOIC ACID, 2-METHYL-, (E)-
Common Name English
Code System Code Type Description
CAS
55894-37-6
Created by admin on Fri Dec 15 23:04:58 GMT 2023 , Edited by admin on Fri Dec 15 23:04:58 GMT 2023
PRIMARY
FDA UNII
2ZQ5618KOJ
Created by admin on Fri Dec 15 23:04:58 GMT 2023 , Edited by admin on Fri Dec 15 23:04:58 GMT 2023
PRIMARY
PUBCHEM
6435866
Created by admin on Fri Dec 15 23:04:58 GMT 2023 , Edited by admin on Fri Dec 15 23:04:58 GMT 2023
PRIMARY