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α-Thujaplicin

α-Thujaplicin structure

CAS No:
1946-74-3
Formula:
C10H12O2
Chemical Name:
α-Thujaplicin
Synonyms:
2,4,6-Cycloheptatrien-1-one,2-hydroxy-3-(1-methylethyl)-;2,4,6-Cycloheptatrien-1-one,2-hydroxy-3-isopropyl-;2-Hydroxy-3-(1-methylethyl)-2,4,6-cycloheptatrien-1-one;α-Thujaplicin;β-Isopropyltropolone;α-Thujaplicine;3-Isopropyltropolone;2-Hydroxy-3-(propan-2-yl)cyclohepta-2,4,6-trien-1-one;2-Hydroxy-3-isopropylcyclohepta-2,4,6-trienone;2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one;552-11-4
Categories:
Food Additives > Sweeteners

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α-Thujaplicin Basic Attributes

Molecular Weight：

164.20 g/mol

Exact Mass：

164.20

DSSTox ID：

DTXSID70173098

Characteristics

PSA：

37.3 Å²

Melting Point：

34 °C

Boiling Point：

58-59 °C @ Press: 5 x 10^-3 Torr

Computed Properties

Molecular Weight:164.20
XLogP3:2.1
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