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3,7-dihydroxytropolone

3,7-dihydroxytropolone structure

CAS No:
85233-29-0
Formula:
C7H6O4
Chemical Name:
3,7-dihydroxytropolone
Synonyms:
3,7-dihydroxytropolone;2,3,4-Trihydroxy-2,4,6-cycloheptatrien-1-one;3,4-Dihydroxytropolone;BMY-28438;2,4,6-Cycloheptatrien-1-one, 2,3,4-trihydroxy-

Description

3,7-dihydroxytropolone is a cyclic ketone that is tropolone in which the hydrogens at positions 3 and 7 are susbstituted by hydroxy groups. It is isolated from the soil bacterium Streptomyces tropolofaciens strain K611-97. It has a role as an antineoplastic agent and a bacterial metabolite. It is a cyclic ketone, a triol, an alpha-hydroxy ketone and an enol. It derives from a tropolone.

3,7-dihydroxytropolone Basic Attributes

Molecular Weight：

154.12

Exact Mass：

154.02660867 g/mol

Characteristics

PSA：

77.8 Å²

Density：

1.802±0.06 g/cm3(Predicted)

Melting Point：

230 °C

Boiling Point：

223.0±40.0 °C(Predicted)

PKA：

4.50±1.00(Predicted)

Drug Information

MeSH Entry Terms：

3,7-dihydroxytropolone

Computed Properties

Molecular Weight:154.12
XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Exact Mass:154.02660867
Monoisotopic Mass:154.02660867
Topological Polar Surface Area:77.8
Heavy Atom Count:11
Complexity:283
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,7-dihydroxytropolone

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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