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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12O4
Molecular Weight 208.2106
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of α-[(Acetyloxy)methyl]benzeneacetic acid, (S)-

SMILES

CC(=O)OC[C@@H](C(O)=O)C1=CC=CC=C1

InChI

InChIKey=OXGQBORIYFGJPM-SNVBAGLBSA-N
InChI=1S/C11H12O4/c1-8(12)15-7-10(11(13)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H12O4
Molecular Weight 208.2106
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:34:08 GMT 2023
Edited
by admin
on Sat Dec 16 19:34:08 GMT 2023
Record UNII
3FN23723TF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
α-[(Acetyloxy)methyl]benzeneacetic acid, (S)-
Systematic Name English
Benzeneacetic acid, α-[(acetyloxy)methyl]-, (S)-
Systematic Name English
(S)-Tropic acid acetate
Common Name English
(-)-O-Acetyltropic acid
Common Name English
Code System Code Type Description
FDA UNII
3FN23723TF
Created by admin on Sat Dec 16 19:34:08 GMT 2023 , Edited by admin on Sat Dec 16 19:34:08 GMT 2023
PRIMARY
CAS
37504-67-9
Created by admin on Sat Dec 16 19:34:08 GMT 2023 , Edited by admin on Sat Dec 16 19:34:08 GMT 2023
PRIMARY
PUBCHEM
15036424
Created by admin on Sat Dec 16 19:34:08 GMT 2023 , Edited by admin on Sat Dec 16 19:34:08 GMT 2023
PRIMARY