6,7-dihydroxy-4-propyl-2H-chromen-2-one
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Basic information
- CAS
15941-64-7- Standard SMILES
CCCc1cc(=O)oc2cc(O)c(O)cc12- InChIKey
NCUJEKUJNOKYLB-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- 6,7-dihydroxy-4-propyl-2H-chromen-2-one
- IUPAC
- 6,7-dihydroxy-4-propylchromen-2-one
- English name
- 6,7-Dihydroxy-4-propyl-2H-chromen-2-one
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
6,7-dihydroxy-4-propyl-2H-chromen-2-one15941-64-7MFCD087418366,7-dihydroxy-4-propylchromen-2-one2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-propyl-6,7-dihydroxy-4-propyl-chromen-2-oneSCHEMBL6836133ALBB-015657AKOS004938601NS-02646SY163162EN300-186415
Show more names
H312316,7-dihydroxy-4-propyl-2H-1-benzopyran-2-one
Database identifiers
- CAS
15941-64-7- PubChem CID
- 11435943
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 184 °C · 184 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 456.8 · 456.8±45.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 7.83 · 7.83±0.20(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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