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40724-67-2

40724-67-2 Structure

40724-67-2 Structure
IdentificationMore
[Name]

(S)-(+)-KETOPINIC ACID
[CAS]

40724-67-2
[Synonyms]

(1S)-(+)-KETOPINIC ACID
(S)-7,7-DIMETHYL-2-OXO-BICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID
(S)-(+)-KETOPINIC ACID
Ketopinicacid
(1S)-(+)-KETOPINIC ACID 97+%
(1s)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-2-oxo-, (1S,4R)-
rac-(1S*,4R*)-2-Oxobornane-10-oic acid
(1S,4R)-2-Oxobornane-10-oic acid
(1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]-1-carboxylic acid
(1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
(4α)-2-Oxo-7,7-dimethylbicyclo[2.2.1]heptane-1β-carboxylic acid
[Molecular Formula]

C10H14O3
[MDL Number]

MFCD08061242
[Molecular Weight]

182.22
[MOL File]

40724-67-2.mol
Questions And AnswerBack Directory
[Uses]

7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic Acid is a useful reactant for the preparation of alkenyl nitrile electrophiles for the possible use of covalent protein labeling.
Chemical PropertiesBack Directory
[Melting point ]

237-239 °C(lit.)
[alpha ]

58 º (C=1 IN CHLOROFORM)
[Boiling point ]

313.3±25.0 °C(Predicted)
[density ]

1.238±0.06 g/cm3(Predicted)
[refractive index ]

25.5 ° (C=0.65, MeOH)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

3.67±0.40(Predicted)
[color ]

White to Almost white
[Optical Rotation]

[α]23/D +58°, c = 1 in chloroform
[BRN ]

4180005
[InChI]

InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1
[InChIKey]

WDODWBQJVMBHCO-LDWIPMOCSA-N
[SMILES]

[C@]12(C(O)=O)C(C)(C)[C@]([H])(CC1)CC2=O
[CAS DataBase Reference]

40724-67-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

2918300090
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(+)-KETOPINIC ACID(40724-67-2)1HNMR
(S)-(+)-KETOPINIC ACID(40724-67-2)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

40724-67-2(sigmaaldrich)
[TCI AMERICA]

(S)-(+)-Ketopinic Acid,>98.0%(GC)(T)(40724-67-2)
Hazard InformationBack Directory
[General Description]

(1S)-(+)-Ketopinic acid is a chiral ketone.
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