1,3-Bisphosphonooxy-4-ethylbenzene

HCID 54597185
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Basic information

Standard SMILES
CCc1ccc(OP(=O)(O)O)cc1OP(=O)(O)O
InChIKey
XIXTVLXRKSQYGX-UHFFFAOYSA-N
Molecular formula
C8H12O8P2
Average molar mass
298.12 g/mol

Names & identifiers

Preferred name
1,3-Bisphosphonooxy-4-ethylbenzene
IUPAC
(2-ethyl-5-phosphonooxyphenyl) dihydrogen phosphate

Names & synonyms

SCHEMBL14892147XIXTVLXRKSQYGX-UHFFFAOYSA-N1,3-Bisphosphonooxy-4-ethylbenzene

Database identifiers

PubChem CID
54597185

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
134 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
18

Related reactions

1 records
New reaction record

Compound notes

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