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Moniliformin

Moniliformin structure

CAS No:
31876-38-7
Formula:
C4H2O3
Chemical Name:
Moniliformin
Synonyms:
3-Cyclobutene-1,2-dione,3-hydroxy-;Cyclobutenedione,hydroxy-;3-Hydroxy-3-cyclobutene-1,2-dione;1-Hydroxycyclobutene-3,4-dione;Semisquaric acid;Moniliformin;3-Hydroxy-3-cyclobutenedione;Hydroxycyclobutenedione;NSC 292896;2-Hydroxycyclobut-2-ene-1,4-dione;39284-13-4

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Moniliformin Basic Attributes

Molecular Weight：

98.06

Exact Mass：

98.06

UNII：

G5JMQ8SDF8

NSC Number：

292896

DSSTox ID：

DTXSID10185731

Characteristics

PSA：

54.37000

XLogP3：

-0.41990

Density：

1.3154

Melting Point：

145-150 °C (decomp)

Boiling Point：

123.51°C (rough estimate)

Flash Point：

113ºC

Refractive Index：

1.4540 (estimate)

PKA：

-0.21±0.25

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

moniliformin

Computed Properties

Molecular Weight:98.06
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:98.000393922
Monoisotopic Mass:98.000393922
Topological Polar Surface Area:54.4
Heavy Atom Count:7
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Moniliformin

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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