4-Oxoadamantane-1-carboxylic Acid

Basic Information

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CAS Number

56674-87-4

Molecular Formula

C11H14O3

Molecular Weight

194.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

367.6°C at 760 mmHg

SMILES

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C1C2CC3CC(C2)(CC1C3=O)C(=O)O

InChI

InChI=1S/C11H14O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-8H,1-5H2,(H,13,14)

InChIKey

VFNJWHFPIRNNRQ-UHFFFAOYSA-N

LogP

1.4664

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

303

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Oxoadamantane-1-carboxylicacid
SCHEMBL328950
A851735
J-515913
ChemDiv3_000437
FS-3056
2-Adamantanone-5-carboxylic acid
FT-0650477
HMS1474D19
EN300-53672
4-Oxoadamantan-1-carboxylic acid
4-Oxoadamantane-1-carboxylic acid
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 4-oxo-
SR-01000400502-1
1-carboxyadamantan-4-one
DTXSID80385706
2-Adamantone-5-carboxylic acid
BRD-A69621249-001-01-7
NCGC00174864-02
SR-01000400502
4-OXO-1-ADAMANTANECARBOXYLIC ACID
BB 0259746
Not available;4-Oxo-1-adamantanecarboxylic Acid
MFCD01825769
AKOS001031984
Z56762234
5-Carboxy-2-Adamantanone
Oprea1_199202
1-carboxy-4-adamantanone
CS-W001595
4-Oxo-adamantane-1-carboxylic acid

MDL Number

MFCD01825769

Customs Code

2918300090

FAQ

What is 4-Oxoadamantane-1-carboxylic Acid (CAS: 56674-87-4)?

4-Oxoadamantane-1-carboxylic Acid is a cyclic organic compound with the molecular formula C16H22O3. It is a derivative of adamantane, featuring a central oxo group. This compound is known for its stability and unique structural features.

What are the main uses of 4-Oxoadamantane-1-carboxylic Acid (CAS: 56674-87-4)?

4-Oxoadamantane-1-carboxylic Acid has various applications in pharmaceutical research, especially in the development of certain drugs. It is also used in the synthesis of other organic compounds and materials.

Is 4-Oxoadamantane-1-carboxylic Acid (CAS: 56674-87-4) safe?

4-Oxoadamantane-1-carboxylic Acid is generally considered safe for laboratory use and industrial applications. However, appropriate handling and protective measures should be taken to avoid skin contact and inhalation. Exposure to high temperatures may cause decomposition.

How should 4-Oxoadamantane-1-carboxylic Acid (CAS: 56674-87-4) be stored?

4-Oxoadamantane-1-carboxylic Acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption and degradation. Optimal storage temperature is below 25°C (77°F).