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Eupatoriochromene

Eupatoriochromene structure

CAS No:
19013-03-7
Formula:
C13H14O3
Chemical Name:
Eupatoriochromene
Synonyms:
Ethanone,1-(7-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-;Ketone,7-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl methyl;1-(7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone;Eupatoriochromene;Desmethylencecalin;De(methyl)encecalin;6-Acetyl-7-hydroxy-2,2-dimethylchromene;NSC 363789
Categories:
Natural Products > Phenols

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Description

Eupatoriochromene is a 1-benzopyran.

Eupatoriochromene Basic Attributes

Molecular Weight：

218.252

Exact Mass：

218.25

UNII：

O9Y1UY34HC

NSC Number：

363789

DSSTox ID：

DTXSID70172485

HScode：

2914400090

Characteristics

PSA：

46.5

XLogP3：

4.15

Density：

1.2±0.1 g/cm3

Melting Point：

80 °C

Boiling Point：

366.7±42.0 °C at 760 mmHg

Flash Point：

140.4±21.4 °C

Refractive Index：

1.557

Computed Properties

Molecular Weight:218.25
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:218.094294304
Monoisotopic Mass:218.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes