Basic information
- CAS
3361-13-5- Standard SMILES
CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1- InChIKey
IOKUIFTUULBXMB-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- 4-Methyl-7-(1-oxopropoxy)-2-benzopyrone
- IUPAC
- (4-methyl-2-oxochromen-7-yl) propanoate
- English name
- 4-Methylumbelliferyl propionate
- Molecular formula
- C13H12O4
- Molecular weight
- 232.23
Names & synonyms
3361-13-54-METHYLUMBELLIFERYL PROPIONATE4-Methyl-7-(1-oxopropoxy)-2-benzopyrone4-methyl-2-oxo-2H-chromen-7-yl propionate(4-methyl-2-oxochromen-7-yl) propanoate4-METHYLUMBELLIFERYLPROPIONATEMFCD000476444-methyl-2-oxo-2H-chromen-7-yl propanoate2H-1-Benzopyran-2-one, 4-methyl-7-(1-oxopropoxy)-EINECS 222-129-34-methyl-2-oxochromen-7-yl propanoate4-Methyl-7-(1-oxopropoxy)-2H-1-benzopyran-2-one
Show more names
AURORA 41204-MU-PROPIONATE(4-methyl-2-oxo-chromen-7-yl) propanoatePROPIONIC ACID-4-METHYLUMBELLIFERYL ESTERPropionic acid 4-methylumbelliferonyl ester4-METHYLUMBELLIFERYL PROPIONATE CRYSTALLINE
2H-1-Benzopyran-2-one,4-methyl-7-(1-oxopropoxy)-6F8F3EW6D4SCHEMBL25349587-propanoyloxy-4-methylcoumarinDTXSID40187304IOKUIFTUULBXMB-UHFFFAOYSA-NSTK391662AKOS002261863
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Boiling point
- 382.1 · 382.1±37.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
武汉市恒瑞信泰生物医药科技有限公司027-027-65522215 18163303831 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [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.
Compound notes
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