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1,1-Dimethylethyl 3-methyl-2-butenoate

1,1-Dimethylethyl 3-methyl-2-butenoate structure

CAS No:
22842-54-2
Formula:
C9H16O2
Chemical Name:
1,1-Dimethylethyl 3-methyl-2-butenoate
Synonyms:
2-Butenoic acid,3-methyl-,1,1-dimethylethyl ester;Crotonic acid,3-methyl-,tert-butyl ester;1,1-Dimethylethyl 3-methyl-2-butenoate;tert-Butyl β-methylcrotonate;tert-Butyl 3-methylcrotonate;tert-Butyl 3-methyl-2-butenoate;tert-Butyl β,β-dimethylacrylate;NSC 126829;1-(tert-Butoxycarbonyl)-2,2-dimethylethene;72852-99-4

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1,1-Dimethylethyl 3-methyl-2-butenoate Basic Attributes

Molecular Weight：

156.22200

Exact Mass：

156.22

EC Number：

245-263-4

NSC Number：

126829

DSSTox ID：

DTXSID90177391

HScode：

2916190090

Characteristics

PSA：

26.30000

XLogP3：

2.29430

Density：

0.897g/cm3

Boiling Point：

68-74 °C @ Press: 23 Torr

Flash Point：

63.5ºC

Refractive Index：

1.434

Vapor Pressure：

0.823mmHg at 25°C

Computed Properties

Molecular Weight:156.22
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:156.115029749
Monoisotopic Mass:156.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Dimethylethyl 3-methyl-2-butenoate

Basic Attributes
Characteristics
Computed Properties
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