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4-acetyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione

4-acetyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione structure

CAS No:
19710-89-5
Formula:
C12H15NO4
Chemical Name:
4-acetyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione
Synonyms:
GLUTAMICINE; Flavipucine;

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4-acetyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione Basic Attributes

Molecular Weight：

237.25200

Exact Mass：

237.10010796 g/mol

NSC Number：

154010

DSSTox ID：

DTXSID80302817

Characteristics

PSA：

80.31000

XLogP3：

0.71840

Density：

1.191g/cm3

Boiling Point：

432.4ºC

Flash Point：

177.4ºC

Refractive Index：

1.499

Vapor Pressure：

1.11E-07mmHg at 25°C

Computed Properties

Molecular Weight:237.25
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:237.10010796
Monoisotopic Mass:237.10010796
Topological Polar Surface Area:80.3
Heavy Atom Count:17
Complexity:420
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-acetyl-3-(3-methylbutanoyl)-3H-pyridine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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