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3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one

3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one structure

CAS No:
20943-16-2
Formula:
C17H18O9
Chemical Name:
3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one
Synonyms:
2H-1-Benzopyran-2-one,3-acetyl-7-(β-D-glucopyranosyloxy)-;Coumarin,3-acetyl-7-(β-D-glucopyranosyloxy)-;3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one
Categories:
Biochemical Engineering > Saccharides

Description

ChEBI: A beta-D-glucoside compound having 3-acetyl-7-hydroxycoumarin as the anomeric substituent.

3-acetyl-7-beta-D-glucopyranosyloxycoumarin is a beta-D-glucoside compound having 3-acetyl-7-hydroxycoumarin as the anomeric substituent. It derives from an umbelliferone.

3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one Basic Attributes

Molecular Weight：

366.32

Exact Mass：

366.32

DSSTox ID：

DTXSID50585059

HScode：

29400090

Characteristics

PSA：

146.66000

XLogP3：

-0.8

Density：

1.569g/cm3

Boiling Point：

698.5ºC at 760 mmHg

Flash Point：

257.4ºC

Refractive Index：

1.645

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:366.3
XLogP3:-0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:366.09508215
Monoisotopic Mass:366.09508215
Topological Polar Surface Area:143
Heavy Atom Count:26
Complexity:589
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

3-Acetyl-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one

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