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1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxaldehyde

1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxaldehyde structure

CAS No:
94170-15-7
Formula:
C7H7NO2
Chemical Name:
1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxaldehyde
Synonyms:
1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxaldehyde;1-methyl-2-oxo-1,2-dihydropyridine-4-carbaldehyde;1-methyl-2-oxopyridine-4-carbaldehyde;4-Pyridinecarboxaldehyde, 1,2-dihydro-1-methyl-2-oxo-

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1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxaldehyde Basic Attributes

Molecular Weight：

137.14

Exact Mass：

137.047678466

DSSTox ID：

DTXSID60558577

Characteristics

PSA：

39.07000

XLogP3：

0.19780

Density：

1.304±0.06 g/cm3

Melting Point：

130-132 °C

Boiling Point：

285.7±33.0 °C(Predicted)

PKA：

-1.25±0.62

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:137.14
XLogP3:-0.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:137.047678466
Monoisotopic Mass:137.047678466
Topological Polar Surface Area:37.4
Heavy Atom Count:10
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxaldehyde

Basic Attributes
Characteristics
Safety Information
Computed Properties

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