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CAS Number: 56674-87-4
4-oxoadamantane-1-carboxylic acid

Structure

4-oxoadamantane-1-carboxylic acid
Name: 4-oxoadamantane-1-carboxylic acid
Synonyms:
General Information
Product Number: 56674874

CAS Registry Number 56674-87-4
Name:
Tricyclo[3.3.1.13,?7]?decane-?1-?carboxylic acid, 4-?oxo-
4-Oxotricyclo[3.3.1.13,7]decane-1-carboxylic acid
1-Carboxy-4-adamantanone
4-Oxo-1-adamantanecarboxylic acid
4-Oxoadamantan-1-carboxylic acid

 

Chemical Formula: C11H14O3
Exact Mass: 194.09
Molecular Weight: 194.23
m/z: 194.09 (100.0%), 195.10 (12.2%), 196.10 (1.3%)

 

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)

InChI Key:VFNJWHFPIRNNRQ-UHFFFAOYSA-N

Canonical SMILES:C1C2CC3CC(C2)(CC1C3=O)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 171-172 °C   (2)IC
Melting Point 169.5-171.0 °C Solv: ethyl ether (60-29-7) (1)IC

Specification

98%

References
  1. (1) Miura, Toshiaki; Chemical & Pharmaceutical Bulletin 1982, V30(1), P67-73 CAPLUS
  2. (2) Manchand, Percy S.; Journal of Medicinal Chemistry 1990, V33(7), P1992-5 CAPLUS
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