adamantanecarboxylic acid (Q69758010)

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chemical compound

• 1-Adamantanecarboxylic acid
• Adamantane-1-carboxylic acid
• Tricyclo[3.3.1.1(3,7)]decan-1-Carboxylic acid

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Language	Label	Description	Also known as
English	adamantanecarboxylic acid	chemical compound	1-Adamantanecarboxylic acid Adamantane-1-carboxylic acid Tricyclo[3.3.1.1(3,7)]decan-1-Carboxylic acid

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

1-Adamantanecarboxylic acid.svg
370 × 225; 8 KB

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mass

180.115029752 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₁H₁₆O₂

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canonical SMILES

O=C(O)C13CC2CC(CC(C1)C2)C3

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melting point

175.0 degree Celsius

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stated in

Jean-Claude Bradley Open Melting Point Dataset

has part(s)

carbon

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oxygen

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hydrogen

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Identifiers

InChI

InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)

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InChIKey

JIMXXGFJRDUSRO-UHFFFAOYSA-N

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CAS Registry Number

828-51-3

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stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

ChemSpider ID

12680

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PubChem CID

13235

1 reference

matched by identifier from

InChIKey

InChIKey

JIMXXGFJRDUSRO-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL12714

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JIMXXGFJRDUSRO-UHFFFAOYSA-N

UniChem compound ID

23670686

1 reference

stated in

UniChem

NMRShiftDB structure ID

10015816

1 reference

matched by identifier from

InChIKey

InChIKey

JIMXXGFJRDUSRO-UHFFFAOYSA-N

DSSTox substance ID

DTXSID40870784

1 reference

matched by identifier from

InChIKey

InChIKey

JIMXXGFJRDUSRO-UHFFFAOYSA-N

NSC number

94182

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EC number

212-584-6

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ECHA Substance Infocard ID

100.011.440

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.011.440

retrieved

29 December 2019

title

Tricyclo(3.3.1.1'3,7)decane-1-carboxylic acid (English)

quotation

CAS no.: 828-51-3 (English)

 

Sitelinks

Wikipedia(3 entries)

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• cswiki Kyselina adamantan-1-karboxylová
• enwiki 1-Adamantanecarboxylic acid
• zhwiki 1-金刚烷甲酸

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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