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β-Methylbenzenebutanal

β-Methylbenzenebutanal structure

CAS No:
13881-14-6
Formula:
C11H14O
Chemical Name:
β-Methylbenzenebutanal
Synonyms:
Benzenebutanal,β-methyl-;Butyraldehyde,3-methyl-4-phenyl-;β-Methylbenzenebutanal;3-Methyl-4-phenylbutanal

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β-Methylbenzenebutanal Basic Attributes

Molecular Weight：

162.23 g/mol

Exact Mass：

162.23

EC Number：

237-647-5

Characteristics

PSA：

17.1 Å²

Density：

0.9734 g/cm³ @ Temp: 20 °C

Boiling Point：

116 °C @ Press: 10 Torr

Computed Properties

Molecular Weight:162.23
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:162.104465066
Monoisotopic Mass:162.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:125
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of β-Methylbenzenebutanal

Basic Attributes
Characteristics
Computed Properties

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