HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Benzyl 2-acetoxybenzoate

HCID 334306
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
52602-17-2
Standard SMILES
CC(=O)Oc1ccccc1C(=O)OCc1ccccc1
InChIKey
FTKJKXRSODPSDE-UHFFFAOYSA-N
Molecular formula
C16H14O4
Average molar mass
270.28 g/mol
Monoisotopic mass
270.08920892

Names & identifiers

Preferred name
Benzyl 2-acetoxybenzoate
IUPAC
benzyl 2-acetyloxybenzoate

Names & synonyms

Benzyl 2-acetoxybenzoateBenzyl acetylsalicylateUNII-BE4NX0DYK852602-17-2BE4NX0DYK8Benzoic acid, 2-(acetyloxy)-, phenylmethyl esterNSC 338972NSC-338972DTXSID40200582RefChem:118838DTXCID70123073benzyl 2-acetyloxybenzoate
Show more names
BenzylacetylsalicylatBENZYL 2-(ACETYLOXY)BENZOATENSC338972SCHEMBL2875064DS-007237Q27274612

Database identifiers

CAS
52602-17-2
PubChem CID
334306
DTXSID
DTXSID40200582
UNII
BE4NX0DYK8
Nikkaji
J2.545.839G

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
Formal charge
0
Complexity
333

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes