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

4-Oxo-2,3-dihydrochromene-3-carboxylic acid

HCID 68674763
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C1COc2ccccc2C1=O
InChIKey
AOOCVVJRKRIDCB-UHFFFAOYSA-N
Molecular formula
C10H8O4
Average molar mass
192.17 g/mol

Names & identifiers

Preferred name
4-Oxo-2,3-dihydrochromene-3-carboxylic acid
IUPAC
4-oxo-2,3-dihydrochromene-3-carboxylic acid

Names & synonyms

SCHEMBL3520052

Database identifiers

PubChem CID
68674763

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
261

Related reactions

1 records
New reaction record
HRID 1116439 reaction equation
HRID 1116439As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes