Basic information
- Standard SMILES
O=C(C=Cc1ccccc1)c1ccc(O)c(O)c1O- InChIKey
MSDGTBGJKOTHCN-UHFFFAOYSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Names & identifiers
- Preferred name
- CID 5217675
- IUPAC
- 3-phenyl-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
- English name
- 2',3',4'-Trihydroxychalcone
- Molecular formula
- C15H12O4
- Molecular weight
- 256.25
Names & synonyms
SCHEMBL131599AKOS 214-292',3',4'-Trihydroxychalcone3-Phenyl-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one2-Propen-1-one, 3-phenyl-1-(2,3,4-trihydroxyphenyl)-
Database identifiers
- CAS
1482-74-2- PubChem CID
- 5217675
- DTXSID
DTXSID70892373
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 169 · 169-170°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
上海达立康医药科技有限公司18658316824
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
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Linked notes
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