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4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde

4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde structure

CAS No:
117569-57-0
Formula:
C12H12O2
Chemical Name:
4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde
Synonyms:
4-(3-hydroxy-3-methylbut-1-ynyl)benzaldehyde;

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4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde Basic Attributes

Molecular Weight：

188.22200

Exact Mass：

188.083729621

DSSTox ID：

DTXSID50390120

HScode：

2912499000

Characteristics

PSA：

37.30000

XLogP3：

1.62150

Density：

1.12g/cm3

Boiling Point：

326.5ºC at 760 mmHg

Flash Point：

138.6ºC

Refractive Index：

1.566

Vapor Pressure：

8.75E-05mmHg at 25°C

Computed Properties

Molecular Weight:188.22
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:188.083729621
Monoisotopic Mass:188.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde

Basic Attributes
Characteristics
Computed Properties

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