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102101-05-3

102101-05-3 Structure

102101-05-3 Structure
IdentificationBack Directory
[Name]

4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-
[CAS]

102101-05-3
[Synonyms]

4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-
[Molecular Formula]

C17H16O5
[MDL Number]

MFCD18783098
[MOL File]

102101-05-3.mol
[Molecular Weight]

300.31
Chemical PropertiesBack Directory
[Melting point ]

119-120 °C(Solv: ethanol (64-17-5))
[Boiling point ]

524.4±50.0 °C(Predicted)
[density ]

1.281±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

7.40±0.40(Predicted)
[InChI]

1S/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-8,15,18H,9H2,1-2H3
[InChIKey]

CKEXCBVNKRHAMX-UHFFFAOYSA-N
[SMILES]

O=C1CC(C2=CC=C(OC)C=C2)OC3=C1C(O)=CC(OC)=C3
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Definition]

ChEBI: 5-hydroxy-4',7-dimethoxyflavanone is a dimethoxyflavanone that is naringenin in which the hydroxy groups at positions 4' and 7 are replaced by methoxy groups. It has a role as a plant metabolite. It is a member of 4'-methoxyflavanones, a dimethoxyflavanone and a monohydroxyflavanone. It is functionally related to a naringenin.
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