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3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one

3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one structure

CAS No:
3570-28-3
Formula:
C13H10O2
Chemical Name:
3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one
Synonyms:
1H-2-Benzopyran-1-one,3-(2-butyn-1-yl)-;Isocoumarin,3-(2-butynyl)-;1H-2-Benzopyran-1-one,3-(2-butynyl)-;3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one;Capillarin

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Description

Capillarin is a member of isocoumarins.

3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one Basic Attributes

Molecular Weight：

198.21700

Exact Mass：

198.22

UNII：

G5ANW3JF5K

DSSTox ID：

DTXSID50189218

HScode：

2932999099

Characteristics

PSA：

30.21000

XLogP3：

2.35880

Density：

1.173g/cm3

Melting Point：

124 °C

Boiling Point：

336.3ºC at 760 mmHg

Flash Point：

139.4ºC

Refractive Index：

1.581

Computed Properties

Molecular Weight:198.22
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:198.068079557
Monoisotopic Mass:198.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:353
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one

Description
Basic Attributes
Characteristics
Computed Properties

3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one

SDS

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