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4-(1,2-dimethyl-5-nitroindol-3-yl)but-3-en-2-one

4-(1,2-dimethyl-5-nitroindol-3-yl)but-3-en-2-one structure

CAS No:
133414-98-9
Formula:
C14H14N2O3
Chemical Name:
4-(1,2-dimethyl-5-nitroindol-3-yl)but-3-en-2-one

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4-(1,2-dimethyl-5-nitroindol-3-yl)but-3-en-2-one Basic Attributes

Molecular Weight：

258.27300

Exact Mass：

258.10044231 g/mol

DSSTox ID：

DTXSID90354201

Characteristics

PSA：

67.82000

XLogP3：

3.52030

Density：

1.21g/cm3

Boiling Point：

471.9ºC

Flash Point：

239.2ºC

Refractive Index：

1.594

Vapor Pressure：

4.47E-09mmHg at 25°C

Computed Properties

Molecular Weight:258.27
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:258.10044231
Monoisotopic Mass:258.10044231
Topological Polar Surface Area:67.8
Heavy Atom Count:19
Complexity:402
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1,2-dimethyl-5-nitroindol-3-yl)but-3-en-2-one

Basic Attributes
Characteristics
Computed Properties

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