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(1S)-(+)-Ketopinic acid

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Name

(1S)-(+)-Ketopinic acid

EINECS N/A
CAS No. 40724-67-2 Density 1.238 g/cm3
PSA 54.37000 LogP 1.46640
Solubility N/A Melting Point 237-239 ºC
Formula C10H14O3 Boiling Point 313.3 °C at 760 mmHg
Molecular Weight 182.219 Flash Point 157.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 40724-67-2 ((S)-(+)-KETOPINIC ACID) Hazard Symbols IrritantXi
Synonyms

Bicyclo[2.2.1]heptane-1-carboxylicacid, 7,7-dimethyl-2-oxo-, (1S)-;(+)-Ketopic acid;(+)-Ketopinic acid;(1S)-Ketopinic acid;(S)-(+)-Ketopinic acid;

Article Data 19

(1S)-(+)-Ketopinic acid Specification

The systematic name of (1S)-(+)-Ketopinic acid is (1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid. With the CAS registry number 40724-67-2, it is also named as Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-2-oxo-, (1S,4R)-. The product's categories are Chiral Reagents; Asymmetric Synthesis; Bicyclic Monoterpenes; Biochemistry; Synthetic Organic Chemistry; Terpenes. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.  

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.37 Å2; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 45.79 cm3; (13)Molar Volume: 147.1 cm3; (14)Polarizability: 18.15×10-24 cm3; (15)Surface Tension: 49 dyne/cm; (16)Density: 1.238 g/cm3; (17)Flash Point: 157.5 °C; (18)Enthalpy of Vaporization: 60.96 kJ/mol; (19)Boiling Point: 313.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000109 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:CC2(C)C1CC(=O)[C@@]2(CC1)C(O)=O
2. InChI:InChI=1/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-/m0/s1

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