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166977-95-3,MFCD24483812
Catalog No.:AA01EJTP

166977-95-3 | 5,5-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

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Technical Information
Catalog Number:
AA01EJTP
Chemical Name:
5,5-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CAS Number:
166977-95-3
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD24483812
SMILES:
O=C1CCC(c2c1cc(cc2)C(=O)O)(C)C
Properties
Computed Properties
 
Complexity:
319  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.4  

Literature
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Additional Info:
SDS
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Tags:166977-95-3 Molecular Formula|166977-95-3 MDL|166977-95-3 SMILES|166977-95-3 5,5-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid