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3,3-Diethyl α3,α3-dicyano-1,2-dihydro-2-oxo-3H-indole-3,3-diacetate

3,3-Diethyl α3,α3-dicyano-1,2-dihydro-2-oxo-3H-indole-3,3-diacetate structure

CAS No:
14003-17-9
Formula:
C18H17N3O5
Chemical Name:
3,3-Diethyl α3,α3-dicyano-1,2-dihydro-2-oxo-3H-indole-3,3-diacetate
Synonyms:
3H-Indole-3,3-diacetic acid,α3,α3-dicyano-1,2-dihydro-2-oxo-,3,3-diethyl ester;3,3-Indolinediacetic acid,α,α′-dicyano-2-oxo-,diethyl ester;3,3-Diethyl α3,α3-dicyano-1,2-dihydro-2-oxo-3H-indole-3,3-diacetate;NSC 406112

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3,3-Diethyl α3,α3-dicyano-1,2-dihydro-2-oxo-3H-indole-3,3-diacetate Basic Attributes

Molecular Weight：

355.35

Exact Mass：

355.34

NSC Number：

406112

DSSTox ID：

DTXSID20324250

HScode：

2933790090

Characteristics

PSA：

129

XLogP3：

Density：

1.299g/cm3

Boiling Point：

604.6ºC at 760 mmHg

Flash Point：

319.5ºC

Refractive Index：

1.547

Vapor Pressure：

1.43E-14mmHg at 25°C

Computed Properties

Molecular Weight:355.3
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:355.11682065
Monoisotopic Mass:355.11682065
Topological Polar Surface Area:129
Heavy Atom Count:26
Complexity:647
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-Diethyl α3,α3-dicyano-1,2-dihydro-2-oxo-3H-indole-3,3-diacetate

Basic Attributes
Characteristics
Computed Properties
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3,3-Diethyl α3,α3-dicyano-1,2-dihydro-2-oxo-3H-indole-3,3-diacetate

SDS

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