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4-Hydroxy-3-(3-oxo-1-phenylbutyl)-6-(phenylmethoxy)-2H-1-benzopyran-2-one

4-Hydroxy-3-(3-oxo-1-phenylbutyl)-6-(phenylmethoxy)-2H-1-benzopyran-2-one structure

CAS No:
30992-68-8
Formula:
C26H22O5
Chemical Name:
4-Hydroxy-3-(3-oxo-1-phenylbutyl)-6-(phenylmethoxy)-2H-1-benzopyran-2-one
Synonyms:
2H-1-Benzopyran-2-one,4-hydroxy-3-(3-oxo-1-phenylbutyl)-6-(phenylmethoxy)-;Coumarin,3-(α-acetonylbenzyl)-6-(benzyloxy)-4-hydroxy-;4-Hydroxy-3-(3-oxo-1-phenylbutyl)-6-(phenylmethoxy)-2H-1-benzopyran-2-one

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Description

Tan Crystals

4-Hydroxy-3-(3-oxo-1-phenylbutyl)-6-(phenylmethoxy)-2H-1-benzopyran-2-one Basic Attributes

Molecular Weight：

414.44988

Exact Mass：

414.45

DSSTox ID：

DTXSID50724542

HScode：

2932209011

Characteristics

PSA：

72.8

XLogP3：

4.2

Density：

1.293±0.06 g/cm3(Predicted)

Melting Point：

164-166°C

Boiling Point：

634.7ºC at 760 mmHg

Flash Point：

218.5ºC

Refractive Index：

1.641

Computed Properties

Molecular Weight:414.4
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:414.14672380
Monoisotopic Mass:414.14672380
Topological Polar Surface Area:72.8
Heavy Atom Count:31
Complexity:671
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-6-(phenylmethoxy)-2H-1-benzopyran-2-one

Description
Basic Attributes
Characteristics
Computed Properties

4-Hydroxy-3-(3-oxo-1-phenylbutyl)-6-(phenylmethoxy)-2H-1-benzopyran-2-one

SDS

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