Basic information
- Standard SMILES
C=CCOc1ccc2ccc(=O)oc2c1- InChIKey
KWNHWLBNDYLDEC-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Names & identifiers
- Preferred name
- 7-Allyloxycoumarin
- IUPAC
- 7-prop-2-enoxychromen-2-one
- English name
- 2H-1-Benzopyran-2-one,7-(2-propen-1-yloxy)-
- Molecular formula
- C12H10O3
- Molecular weight
- 202.21
Names & synonyms
7-ALLYLOXYCOUMARIN31005-03-57-prop-2-enoxychromen-2-oneDTXSID30316227RefChem:105770DTXCID202673507-(Allyloxy)-2H-chromen-2-one7-allyloxychromen-2-oneCHEMBL4327452H-1-BENZOPYRAN-2-ONE,7-(2-PROPEN-1-YLOXY)-7-(prop-2-en-1-yloxy)-2H-chromen-2-oneNSC301050
Show more names
TimTec1_006482SCHEMBL47655307-prop-2-enyloxychromen-2-one7-(Allyloxy)-2H-2-chromenoneKWNHWLBNDYLDEC-UHFFFAOYSA-NHMS1552G147-(Allyloxy)-2H-chromen-2-one #BDBM50366103
Database identifiers
- CAS
31005-03-5- PubChem CID
- 327169
- DTXSID
DTXSID30316227- ChEMBL
CHEMBL432745- Nikkaji
- J1.235.002C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 79 · 79-80 °C
- Boiling point
- 367.1 · 367.1±42.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…