ChemicalBook--->CAS DataBase List--->68000-21-5

68000-21-5

68000-21-5 Structure

68000-21-5 Structure
IdentificationBack Directory
[Name]

3-Cyclohexene-1-carboxylicacid,methylester,(1S)-(9CI)
[CAS]

68000-21-5
[Synonyms]

methyl (S)-cyclohex-3-ene-1-carboxylate
methyl (1S)-cyclohex-3-ene-1-carboxylate
3-Cyclohexene-1-carboxylic acid, methyl ester, (1S)-
3-Cyclohexene-1-carboxylicacid,methylester,(1S)-(9CI)
[Molecular Formula]

C8H12O2
[MDL Number]

MFCD18830681
[MOL File]

68000-21-5.mol
[Molecular Weight]

140.18
Chemical PropertiesBack Directory
[Boiling point ]

174.9±19.0 °C(Predicted)
[density ]

1.020±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[Appearance]

Colorless to light yellow Liquid
[Optical Rotation]

-90.7° (C=0.50 g/100ml CHCL3)
[InChI]

InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3/t7-/m1/s1
[InChIKey]

IPUNVLFESXFVFH-SSDOTTSWSA-N
[SMILES]

[C@H]1(C(OC)=O)CCC=CC1
Spectrum DetailBack Directory
[Spectrum Detail]

3-Cyclohexene-1-carboxylicacid,methylester,(1S)-(9CI)(68000-21-5)1HNMR
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