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

Mls003171565

HCID 346151
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
7460-86-8
Standard SMILES
O=C(CCC(=O)OCCOc1ccccc1)OCCOc1ccccc1
InChIKey
JVQXQUVIYJRNRM-UHFFFAOYSA-N
Molecular formula
C20H22O6
Average molar mass
358.4 g/mol
Monoisotopic mass
358.14163842

Names & identifiers

Preferred name
Mls003171565
IUPAC
bis(2-phenoxyethyl) butanedioate

Names & synonyms

7460-86-8MLS003171565DTXSID30323537RefChem:357359DTXCID70274655bis(2-phenoxyethyl) butanedioateBis(2-phenoxyethyl) succinateNSC404234SCHEMBL7576079JVQXQUVIYJRNRM-UHFFFAOYSA-NNSC-404234Succinic acid, di(2-phenoxyethyl) ester
Show more names
SMR001875447

Database identifiers

CAS
7460-86-8
PubChem CID
346151
DTXSID
DTXSID30323537

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
71.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
26
Formal charge
0
Complexity
361

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes