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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O2
Molecular Weight 190.2384
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLBUT-3-ENYL BENZOATE

SMILES

CC(=C)CCOC(=O)C1=CC=CC=C1

InChI

InChIKey=BBTRQSDRTFFNSW-UHFFFAOYSA-N
InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3

HIDE SMILES / InChI

Molecular Formula C12H14O2
Molecular Weight 190.2384
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 Sat Dec 16 09:19:29 GMT 2023
Edited
by admin
on Sat Dec 16 09:19:29 GMT 2023
Record UNII
YPV8S9FL2T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLBUT-3-ENYL BENZOATE
Systematic Name English
3-BUTEN-1-OL, 3-METHYL-, BENZOATE
Systematic Name English
3-METHYL-3-BUTENYL BENZOATE
Common Name English
3-BUTEN-1-OL, 3-METHYL-, 1-BENZOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
521364
Created by admin on Sat Dec 16 09:19:29 GMT 2023 , Edited by admin on Sat Dec 16 09:19:29 GMT 2023
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FDA UNII
YPV8S9FL2T
Created by admin on Sat Dec 16 09:19:29 GMT 2023 , Edited by admin on Sat Dec 16 09:19:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID601019408
Created by admin on Sat Dec 16 09:19:29 GMT 2023 , Edited by admin on Sat Dec 16 09:19:29 GMT 2023
PRIMARY
CAS
5205-12-9
Created by admin on Sat Dec 16 09:19:29 GMT 2023 , Edited by admin on Sat Dec 16 09:19:29 GMT 2023
PRIMARY