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

Ethyl chrysene-2-carboxylate

HCID 15599324
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1ccc2c(ccc3c4ccccc4ccc23)c1
InChIKey
XILHOIIGGNYNJN-UHFFFAOYSA-N
Molecular formula
C21H16O2
Average molar mass
300.3 g/mol

Names & identifiers

Preferred name
Ethyl chrysene-2-carboxylate
IUPAC
ethyl chrysene-2-carboxylate

Names & synonyms

Ethyl chrysene-2-carboxylateSCHEMBL10484294XILHOIIGGNYNJN-UHFFFAOYSA-N

Database identifiers

PubChem CID
15599324

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
Formal charge
0
Complexity
432

Related reactions

5 records
New reaction record
HRID 1193740 reaction equation
HRID 1193740As reactantuspto-grants-1989_03
HRID 1564009 reaction equation
HRID 1564009As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1762015 reaction equation
HRID 1762015As reactantuspto-grants-1989_05
HRID 2413571 reaction equation
HRID 2413571As reactantuspto-grants-1988_01
HRID 2413601 reaction equation
HRID 2413601As reactantuspto-grants-1988_01

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes