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1-(5-ACETYL-2,4-DIHYDROXY-3-PROPYLPHENYL)ETHAN-1-ONE

1-(5-ACETYL-2,4-DIHYDROXY-3-PROPYLPHENYL)ETHAN-1-ONE structure

CAS No:
58805-52-0
Formula:
C13H16O4
Chemical Name:
1-(5-ACETYL-2,4-DIHYDROXY-3-PROPYLPHENYL)ETHAN-1-ONE
Synonyms:
1-(5-acetyl-2,4-dihydroxy-3-propylphenyl)ethan-1-one;1-(5-acetyl-2,4-dihydroxy-3-propylphenyl)ethanone;SCHEMBL10687608;CTK5A8914;DTXSID90379439;ZINC157817;MFCD00100639;DB-053271;FT-0605785;A832027

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1-(5-ACETYL-2,4-DIHYDROXY-3-PROPYLPHENYL)ETHAN-1-ONE Basic Attributes

Molecular Weight：

236.26

Exact Mass：

236.10500

DSSTox ID：

DTXSID90379439

Characteristics

PSA：

74.6

XLogP3：

2.45550

Density：

1.189g/cm3

Melting Point：

99ºC

Boiling Point：

434.2ºC at 760 mmHg

Flash Point：

230.5ºC

Refractive Index：

1.56

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

Computed Properties

Molecular Weight:236.26
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:236.10485899
Monoisotopic Mass:236.10485899
Topological Polar Surface Area:74.6
Heavy Atom Count:17
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(5-ACETYL-2,4-DIHYDROXY-3-PROPYLPHENYL)ETHAN-1-ONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-(5-ACETYL-2,4-DIHYDROXY-3-PROPYLPHENYL)ETHAN-1-ONE

SDS

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