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ChemicalBook--->CAS DataBase List--->16646-42-7

16646-42-7

16646-42-7 Structure

16646-42-7 Structure
IdentificationBack Directory
[Name]

1-METHYL-3-CYCLOHEXENECARBOXYLICACID
[CAS]

16646-42-7
[Synonyms]

1-METHYL-3-CYCLOHEXENECARBOXYLICACID
1-Methylcyclohex-3-Enecarboxylic Acid
1-Methyl-3-cyclohexene-1-carboxylic acid
1-Methylcyclohex-3-ene-1-carboxylic acid
3-Cyclohexene-1-carboxylic acid, 1-Methyl-
[Molecular Formula]

C8H12O2
[MDL Number]

MFCD01735194
[MOL File]

16646-42-7.mol
[Molecular Weight]

140.18
Chemical PropertiesBack Directory
[Melting point ]

78-79 °C
[Boiling point ]

75-77 °C(Press: 18 Torr)
[density ]

0.9945 g/cm3
[pka]

4.79±0.20(Predicted)
[InChI]

InChI=1S/C8H12O2/c1-8(7(9)10)5-3-2-4-6-8/h2-3H,4-6H2,1H3,(H,9,10)
[InChIKey]

FKOPGCJIAFSDAO-UHFFFAOYSA-N
[SMILES]

C1(C)(C(O)=O)CCC=CC1
Spectrum DetailBack Directory
[Spectrum Detail]

1-METHYL-3-CYCLOHEXENECARBOXYLICACID(16646-42-7)1HNMR
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