Chemical Properties of 2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy- (CAS 574-84-5)

2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-

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InChI
InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
InChI Key
HAVWRBANWNTOJX-UHFFFAOYSA-N
Formula
C10H8O5
SMILES
COc1cc2ccc(=O)oc2c(O)c1O
Molecular Weight1
208.17
CAS
574-84-5
Other Names
  • Coumarin, 7,8-dihydroxy-6-methoxy
  • Fraxetin
  • 7,8-dihydroxy-6-methoxy-2-benzopyrone
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Physical Properties

Property Value Unit Source
ω 0.8194 Relay (... Calculated Property
Δf -437.70 kJ/mol Relay (... Calculated Property ⚠️
Δfgas -630.58 kJ/mol Relay (... Calculated Property
Δvap 133.55 kJ/mol Relay (... Calculated Property
IE 8.20 eV Relay (... Calculated Property
log10WS -1.83 Relay (... Calculated Property
logPoct/wat 1.213 Crippen Calculated Property
McVol 137.890 ml/mol McGowan Calculated Property
Pc 4853.95 kPa Relay (... Calculated Property ⚠️
Tboil 635.90 K Relay (... Calculated Property
Tc 896.94 K Relay (... Calculated Property
Tfus 463.96 K Relay (... Calculated Property
Vc 0.506 m3/kmol Relay (... Calculated Property

Similar Compounds

Isofraxidin. Scopoletin. Scoparone. 5,7,8-trimethoxycoumarin. Esculetin. Scopoletin, O-trifluoroacetyl-. Scopoletin, trimethylsilyl ether. Scopoletin, O-acetyl-. Scopoletin, O-pentafluoropropionyl-. Coumarin, 6-methoxy-7-trimethylsilyloxy. 2H-1-Benzopyran-2-one, 8-methoxy-. Scopoletin, O-heptafluorobutyryl-. Scopoletin, tert-butyldimethylsilyl ether. 4,9-dimethoxypsoralen. 7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dimethoxy-.

Find more compounds similar to 2H-1-Benzopyran-2-one, 7,8-dihydroxy-6-methoxy-.

Sources

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