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Demethoxyencecalin

Demethoxyencecalin structure

CAS No:
19013-07-1
Formula:
C13H14O2
Chemical Name:
Demethoxyencecalin
Synonyms:
Ethanone,1-(2,2-dimethyl-2H-1-benzopyran-6-yl)-;Ketone,2,2-dimethyl-2H-1-benzopyran-6-yl methyl;1-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethanone;Desmethoxyencecalin;6-Acetyl-2,2-dimethylchromene;Demethoxyencecalin;6-Acetyl-2,2-dimethyl-2H-1-benzopyran;1-(2,2-Dimethylchromen-6-yl)ethanone;1-(2,2-Dimethyl-2H-chromen-6-yl)ethan-1-one;1-(2,2-Dimethyl-2H-chromen-6-yl)ethanone
Categories:
Natural Products > Phenols

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Description

Demethoxyencecalin is a chromene isolated from Helianthus annuus, has antifungal activities[1].

6-Acetyl-2,2-dimethyl-2H-1-benzopyran is a 1-benzopyran.

Demethoxyencecalin Basic Attributes

Molecular Weight：

202.253

Exact Mass：

202.25

EC Number：

606-199-6

DSSTox ID：

DTXSID30172486

HScode：

2914190090

Characteristics

PSA：

26.3

XLogP3：

3.23

Density：

1.1±0.1 g/cm3

Boiling Point：

329.8±42.0 °C at 760 mmHg

Flash Point：

147.7±21.4 °C

Refractive Index：

1.531

Water Solubility：

60.26 mg/L @ 25 °C (est)

Computed Properties

Molecular Weight:202.25
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:202.099379685
Monoisotopic Mass:202.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:291
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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