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γ-Thujaplicin

γ-Thujaplicin structure

CAS No:
672-76-4
Formula:
C10H12O2
Chemical Name:
γ-Thujaplicin
Synonyms:
2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-(1-methylethyl)-;2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-isopropyl-;2-Hydroxy-5-(1-methylethyl)-2,4,6-cycloheptatrien-1-one;γ-Thujaplicin;γ-Thujaplicine;5-Isopropyltropolone;NSC 18805;NSC 402794;NSC 43338;2-Hydroxy-5-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
Categories:
Cosmetic Ingredient > Anticorrosive

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Description

Gamma-Thujaplicin is a cyclic ketone.

γ-Thujaplicin Basic Attributes

Molecular Weight：

164.20100

Exact Mass：

164.20

NSC Number：

402794|43338|18805

DSSTox ID：

DTXSID2060969

HScode：

2914400090

Characteristics

PSA：

37.30000

XLogP3：

1.87580

Density：

1.127g/cm3

Melting Point：

82 °C

Boiling Point：

303.4ºC at 760 mmHg

Flash Point：

128.1ºC

Refractive Index：

1.553

Drug Information

MeSH Entry Terms：

2-hydroxy-5-isopropyl- 2,4,6-cycloheptatrienone

γ-Thujaplicin Use and Manufacturing

Manufacturing Info：

2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-: INACTIVE

Computed Properties

Molecular Weight:164.20
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes