Basic information
- CAS
99007-90-6- Standard SMILES
CC(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(=O)O- InChIKey
ORWAAQBZVLXILN-UHFFFAOYSA-N- Molecular formula
- C18H14O5
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.08412354
Names & identifiers
- Preferred name
- 2-((4-Oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy)propanoic acid
- IUPAC
- 2-(4-oxo-3-phenylchromen-7-yl)oxypropanoic acid
- English name
- 2-[(4-Oxo-3-phenyl-4H-chromen-7-yl)oxy]propanoic acid
- Molecular formula
- C18H14O5
- Molecular weight
- 310.3
Names & synonyms
99007-90-62-((4-Oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy)propanoic acidDTXSID50912907Propanoic acid, 2-((4-oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy)-2-[(4-Oxo-3-phenyl-4H-1-benzopyran-7-yl)oxy]propanoic acidRefChem:1060539DTXCID0013419202-[(4-OXO-3-PHENYL-4H-CHROMEN-7-YL)OXY]PROPANOIC ACID2-((4-Oxo-3-phenyl-4H-chromen-7-yl)oxy)propanoic acidC18H14O52-(4-oxo-3-phenylchromen-7-yl)oxypropanoic acid7-(1-Hydroxycarbonylethyl)oxy-3-phenyl-4H-1-benzopyran-4-one
Show more names
2-((4-oxo-3-phenyl-4h-1-benzopyran-7-yl)oxy)propanoicacid2-((4-oxo-3-phenyl-4h-1-benzopyran-7-yl)oxy)-propanoicaci
SCHEMBL86355947-(1-carboxy-ethoxy)-isoflavoneORWAAQBZVLXILN-UHFFFAOYSA-NAKOS016376840F0954552-(4-oxo-3-phenyl-chromen-7-yl)oxypropanoic acid2-((4-Oxo-3-phenyl-4H-chromen-7-yl)oxy)propanoicacid
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Boiling point
- 522.1 · 522.1±50.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- pka
- 3.07 · 3.07±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳乾延药物研发科技有限公司0755-28682735 13538090636
Related reactions
2 records
Compound notes
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