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13351-10-5

13351-10-5 Structure

13351-10-5 Structure
IdentificationBack Directory
[Name]

2',4-DIHYDROXY-4'-METHOXYCHALCONE
[CAS]

13351-10-5
[Synonyms]

2',4-DIHYDROXY-4'-METHOXYCHALCONE
ISOLIQUIRITIGENIN-4'-METHYL ETHER
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-
(2E)-1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
[Molecular Formula]

C16H14O4
[MDL Number]

MFCD00076026
[MOL File]

13351-10-5.mol
[Molecular Weight]

270.28
Chemical PropertiesBack Directory
[Melting point ]

186 °C
[Boiling point ]

499.4±37.0 °C(Predicted)
[density ]

1.282±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

7.36±0.35(Predicted)
[InChI]

1S/C16H14O4/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,17,19H,1H3/b9-4+
[InChIKey]

ADRQFDIWPRFKSP-RUDMXATFSA-N
[SMILES]

COc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[Hazard Codes ]

Xn,N
[Risk Statements ]

50
[Safety Statements ]

61
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
[Toxicity]

mammal (species unspecified),LD50,unreported,645mg/kg (645mg/kg),Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.
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