Basic information
- Standard SMILES
CC(C)c1ccc(OP(=O)(O)O)cc1OP(=O)(O)O- InChIKey
IIRHCZGRANRXHZ-UHFFFAOYSA-N- Molecular formula
- C9H14O8P2
- Average molar mass
- 312.15 g/mol
- Monoisotopic mass
- 312.0163914
Names & identifiers
- Preferred name
- 1,3-Bisphosphonooxy-4-isopropylbenzene
- IUPAC
- (3-phosphonooxy-4-propan-2-ylphenyl) dihydrogen phosphate
Names & synonyms
SCHEMBL14892969IIRHCZGRANRXHZ-UHFFFAOYSA-N1,3-Bisphosphonooxy-4-isopropylbenzene
Database identifiers
- PubChem CID
- 54597186
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
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