U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C12H14O3
Molecular Weight 206.2378
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (TETRAHYDROFURAN-2-YL)METHYL BENZOATE

SMILES

O=C(OCC1CCCO1)C2=CC=CC=C2

InChI

InChIKey=ZXVLLZARPGZABO-UHFFFAOYSA-N
InChI=1S/C12H14O3/c13-12(10-5-2-1-3-6-10)15-9-11-7-4-8-14-11/h1-3,5-6,11H,4,7-9H2

HIDE SMILES / InChI

Molecular Formula C12H14O3
Molecular Weight 206.2378
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:43:49 GMT 2023
Edited
by admin
on Sat Dec 16 08:43:49 GMT 2023
Record UNII
N2PFV9X7XY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(TETRAHYDROFURAN-2-YL)METHYL BENZOATE
Common Name English
2-FURANMETHANOL, TETRAHYDRO-, 2-BENZOATE
Systematic Name English
FURFURYL ALCOHOL, TETRAHYDRO-, BENZOATE
Common Name English
NSC-4891
Code English
2-BENZOYLOXYMETHYL-TETRAHYDRO-FURAN
Common Name English
2-FURANMETHANOL, TETRAHYDRO-, BENZOATE
Systematic Name English
Code System Code Type Description
CAS
2217-32-5
Created by admin on Sat Dec 16 08:43:49 GMT 2023 , Edited by admin on Sat Dec 16 08:43:49 GMT 2023
PRIMARY
NSC
4891
Created by admin on Sat Dec 16 08:43:49 GMT 2023 , Edited by admin on Sat Dec 16 08:43:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID101030853
Created by admin on Sat Dec 16 08:43:49 GMT 2023 , Edited by admin on Sat Dec 16 08:43:49 GMT 2023
PRIMARY
PUBCHEM
94227
Created by admin on Sat Dec 16 08:43:49 GMT 2023 , Edited by admin on Sat Dec 16 08:43:49 GMT 2023
PRIMARY
FDA UNII
N2PFV9X7XY
Created by admin on Sat Dec 16 08:43:49 GMT 2023 , Edited by admin on Sat Dec 16 08:43:49 GMT 2023
PRIMARY