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2-Isopropylacrolein

2-Isopropylacrolein structure

CAS No:
4417-80-5
Formula:
C6H10O
Chemical Name:
2-Isopropylacrolein
Synonyms:
Butanal,3-methyl-2-methylene-;Butyraldehyde,3-methyl-2-methylene-;3-Methyl-2-methylenebutanal;3-Methyl-2-methylenebutyraldehyde;α-Isopropylacrolein;2-Isopropylacrolein;2-Methylene-3-methylbutanal;2-Isopropyl-2-propenal;2-Isopropylacroleine;3-Methyl-2-methylidenebutanal

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2-Isopropylacrolein Basic Attributes

Molecular Weight：

98.145

Exact Mass：

98.14

EC Number：

224-578-0

UNII：

0VRQ7LSC5D

DSSTox ID：

DTXSID70196060

Characteristics

PSA：

17.1

XLogP3：

1.5

Density：

0.8389 g/cm³ @ Temp: 20 °C

Boiling Point：

105-106 °C

Peroxide Forming Chemical：

3-Methyl-2-methylenebutyraldehyde|D*: Other compounds that may form peroxides|Bretherick's

Computed Properties

Molecular Weight:98.14
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:82.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Isopropylacrolein

Basic Attributes
Characteristics
Computed Properties

2-Isopropylacrolein

SDS

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