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78781-84-7

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Basic Information
CAS No.: 78781-84-7
Name: (S)-ACETYLAMINO-CYCLOHEXYL-ACETIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 78781-84-7 ((S)-ACETYLAMINO-CYCLOHEXYL-ACETIC ACID)
Formula: C10H17NO3
Molecular Weight: 199.25
Synonyms: Cyclohexaneaceticacid, a-(acetylamino)-, (S)-;
Density: 1.134 g/cm3
Boiling Point: 428.641 °C at 760 mmHg
Flash Point: 213.035 °C
PSA: 66.40000
LogP: 1.54690
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    Molecular Formula: C10H17NO3 Formula Weight: 199.25

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Specification

This chemical is called (S)-Acetylaminocyclohexylacetic acid, and its CAS registry number is 78781-84-7. With the molecular formula of C10H17NO3, its molecular weight is 199.25.

Other characteristics of the (S)-Acetylaminocyclohexylacetic acid can be summarised as followings: (1)ACD/LogP: 0.33; (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: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.4 Å2; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 51.357 cm3; (13)Molar Volume: 175.632 cm3; (14)Polarizability: 20.359×10-24cm3; (15)Surface Tension: 44.065 dyne/cm; (16)Density: 1.134 g/cm3; (17)Flash Point: 213.035 °C; (18)Enthalpy of Vaporization: 74.992 kJ/mol; (19)Boiling Point: 428.641 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)C(NC(=O)C)C1CCCCC1
2.InChI:InChI=1/C10H17NO3/c1-7(12)11-9(10(13)14)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)
3.InChIKey: CVVVAKVOCWNDLJ-UHFFFAOYAJ