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5-(1,1-Dimethyl-2-propen-1-yl)-8-hydroxy-7-methoxy-2H-1-benzopyran-2-one

5-(1,1-Dimethyl-2-propen-1-yl)-8-hydroxy-7-methoxy-2H-1-benzopyran-2-one structure

CAS No:
73815-20-0
Formula:
C15H16O4
Chemical Name:
5-(1,1-Dimethyl-2-propen-1-yl)-8-hydroxy-7-methoxy-2H-1-benzopyran-2-one
Synonyms:
2H-1-Benzopyran-2-one,5-(1,1-dimethyl-2-propen-1-yl)-8-hydroxy-7-methoxy-;2H-1-Benzopyran-2-one,5-(1,1-dimethyl-2-propenyl)-8-hydroxy-7-methoxy-;5-(1,1-Dimethyl-2-propen-1-yl)-8-hydroxy-7-methoxy-2H-1-benzopyran-2-one;Celerin

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Description

Solid

Celerin is a hydroxycoumarin.

5-(1,1-Dimethyl-2-propen-1-yl)-8-hydroxy-7-methoxy-2H-1-benzopyran-2-one Basic Attributes

Molecular Weight：

260.28 g/mol

Exact Mass：

260.29

UNII：

G99WVK4E7Y

DSSTox ID：

DTXSID80224242

Characteristics

PSA：

55.8 Å²

Melting Point：

158-159.5°C

Water Solubility：

44.73 mg/L @ 25 °C (est)

Computed Properties

Molecular Weight:260.28
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:260.10485899
Monoisotopic Mass:260.10485899
Topological Polar Surface Area:55.8
Heavy Atom Count:19
Complexity:399
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1,1-Dimethyl-2-propen-1-yl)-8-hydroxy-7-methoxy-2H-1-benzopyran-2-one

Description
Basic Attributes
Characteristics
Computed Properties

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