10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-malonic acid

HCID 20187933
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C(C(=O)O)C1c2ccccc2CCc2ccccc21
InChIKey
MFJHLAWANGOCTG-UHFFFAOYSA-N
Molecular formula
C18H16O4
Average molar mass
296.3 g/mol

Names & identifiers

Preferred name
10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-malonic acid
IUPAC
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanedioic acid

Names & synonyms

SCHEMBL10739890MFJHLAWANGOCTG-UHFFFAOYSA-N10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-malonic acid

Database identifiers

PubChem CID
20187933

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

Related reactions

5 records
New reaction record

Compound notes

Loading…