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3-Furancarboxylic acid

3-Furancarboxylic acid structure

CAS No:
488-93-7
Formula:
C5H4O3
Chemical Name:
3-Furancarboxylic acid
Synonyms:
3-Furancarboxylic acid;3-Furoic acid;3-Carboxyfuran;3-Furanoic acid;NSC 349941;2244579-81-3
Categories:
Natural Products > Phenols

Description

white to light yellow crystal powde

Solid

3-furoic acid is a furoic acid carrying the carboxy group at position 3. It has a role as a human metabolite. It is a conjugate acid of a 3-furoate.

3-Furancarboxylic acid Basic Attributes

Molecular Weight：

11208

Exact Mass：

112.08

EC Number：

207-689-9

UNII：

88A3S7RG98

NSC Number：

349941

DSSTox ID：

DTXSID50197611

HScode：

29321900

Characteristics

PSA：

50.4

XLogP3：

Appearance：

Solid

Density：

1.3±0.1 g/cm3

Melting Point：

122.5 °C

Boiling Point：

290 °C

Flash Point：

92.7±19.8 °C

Refractive Index：

1.513

Water Solubility：

H2O: insoluble

Storage Conditions：

Store below +30°C

Vapor Pressure：

0.0386mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-34

safety instructions：

26-36/37-45-36/37/39-36

Marks：

Xi,C

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

3-Furancarboxylic acid Use and Manufacturing

3-Furoic Acid, is metabolized by Corynebacterium fascians from soil, limonoid metabolism based on a biological studies. Used in the synthesis of intermediates, photosensitive materials, food additives, drugs and pesticides, etc.

Computed Properties

Molecular Weight:112.08
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:112.016043985
Monoisotopic Mass:112.016043985
Topological Polar Surface Area:50.4
Heavy Atom Count:8
Complexity:99.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Carbon dioxide

Methanol

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