Basic information
- CAS
19152-39-7- Standard SMILES
O=C(C=Cc1ccc2c(c1)OCO2)c1ccc(O)cc1- InChIKey
AZEHEBLLFINCCX-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 4'-Hydroxy-3,4-methylenedioxy-chalcone
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
- English name
- 4'-HYDROXY-3,4-METHYLENEDIOXYCHALCONE
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
4'-Hydroxy-3,4-methylenedioxy-chalcone3-(1,3-Benzodioxol-5-yl)-1-(4-hydroxyphenyl)-2-propen-1-one3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-oneSCHEMBL3440511(E)-3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-oneSCHEMBL30383813DTXSID50327577AZEHEBLLFINCCX-UHFFFAOYSA-N3-(2H-1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-oneAKOS004906610NCI60_023401TIMTEC-BB SBB002402
Show more names
4'-HYDROXY-3,4-METHYLENEDIOXYCHALCONE2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)-3-(Benzo[d][1,3]dioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Database identifiers
- CAS
19152-39-7- PubChem CID
- 381076
- DTXSID
DTXSID50327577
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Melting point
- 207 · 207-209 °C
- Boiling point
- 482.6 · 482.6±45.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 7.89 · 7.89±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2914390090 · 2914390090
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
- hs_code
- 2914390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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