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4-(1-Methylethoxy)-β-oxobenzenepropanenitrile

4-(1-Methylethoxy)-β-oxobenzenepropanenitrile structure

CAS No:
884504-22-7
Formula:
C12H13NO2
Chemical Name:
4-(1-Methylethoxy)-β-oxobenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,4-(1-methylethoxy)-β-oxo-;4-(1-Methylethoxy)-β-oxobenzenepropanenitrile;(4-Isopropoxybenzoyl)acetonitrile;3-Oxo-3-(4-propan-2-yloxyphenyl)propanenitrile;3-Oxo-3-[4-(propan-2-yloxy)phenyl]propanenitrile

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4-(1-Methylethoxy)-β-oxobenzenepropanenitrile Basic Attributes

Molecular Weight：

203.23700

Exact Mass：

203.24

DSSTox ID：

DTXSID70606558

HScode：

2926909090

Characteristics

PSA：

50.09000

XLogP3：

2.57018

Density：

1.079g/cm3

Boiling Point：

375.7ºC

Flash Point：

164.3ºC

Refractive Index：

1.514

Computed Properties

Molecular Weight:203.24
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:203.094628657
Monoisotopic Mass:203.094628657
Topological Polar Surface Area:50.1
Heavy Atom Count:15
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sodium bromide formula; sicl4; disodium phosphate; dichlorine monoxide; potassium sulfide formula; calcium bromide formula

Guide of 4-(1-Methylethoxy)-β-oxobenzenepropanenitrile

Basic Attributes
Characteristics
Computed Properties

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