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Phthiocol

Phthiocol structure

CAS No:
483-55-6
Formula:
C11H8O3
Chemical Name:
Phthiocol
Synonyms:
1,4-Naphthalenedione,2-hydroxy-3-methyl-;1,4-Naphthoquinone,2-hydroxy-3-methyl-;Phthiocol;2-Hydroxy-3-methyl-1,4-naphthalenedione;2-Hydroxy-3-methyl-1,4-naphthoquinone;2-Methyl-3-hydroxy-1,4-naphthoquinone;3-Hydroxy-2-methyl-1,4-naphthoquinone;Phthiokol;2-Hydroxy-3-methylnaphthoquinone;Q 121;3-Methyl-2-hydroxy-1,4-naphthoquinone;NSC 11897;3-Hydroxy-2-methyl-1,4-naphthaquinone;3-Methyl-2-hydroxy-1,4-naphthalenedione;2-Hydroxy-3-methyl-1,4-dihydronaphthalene-1,4-dione
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Phthiocol Basic Attributes

Molecular Weight：

188.17900

Exact Mass：

188.18

EC Number：

207-594-2

UNII：

8R72C50E69

NSC Number：

11897

Characteristics

PSA：

54.37000

XLogP3：

1.89760

Density：

1.389 g/cm3

Melting Point：

173.5 °C

Boiling Point：

342.655ºC at 760 mmHg

Flash Point：

175.232ºC

Refractive Index：

1.646

Toxicity：

LDLo intraperitoneal in chicken: 100mg/kg

Safety Information

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H400

Drug Information

MeSH Entry Terms：

2-hydroxy-3-methyl-1,4-naphthoquinone

Computed Properties

Molecular Weight:188.18
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:188.047344113
Monoisotopic Mass:188.047344113
Topological Polar Surface Area:54.4
Heavy Atom Count:14
Complexity:327
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes