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4,6-Dihydroxycoumarin

4,6-Dihydroxycoumarin structure

CAS No:
30992-75-7
Formula:
C9H6O4
Chemical Name:
4,6-Dihydroxycoumarin
Synonyms:
4,6-dihydroxy-2H-chromen-2-one;4,6-Dihydroxycoumarin;4,6-Dihydroxy-2H-1-benzopyran-2-one;2H-1-Benzopyran-2-one, 4,6-dihydroxy-

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4,6-Dihydroxycoumarin Basic Attributes

Molecular Weight：

178.14

Exact Mass：

178.02660867

DSSTox ID：

DTXSID90715656

Characteristics

Density：

1.612±0.06 g/cm3

Melting Point：

268-270 °C(Solv: acetone (67-64-1); water (7732-18-5))

Boiling Point：

462.6±45.0 °C(Predicted)

PKA：

4.50±1.00

Computed Properties

Molecular Weight:178.14
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:178.02660867
Monoisotopic Mass:178.02660867
Topological Polar Surface Area:66.8
Heavy Atom Count:13
Complexity:258
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,6-Dihydroxycoumarin

Basic Attributes
Characteristics
Computed Properties

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