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21477-59-8

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Basic Information
CAS No.: 21477-59-8
Name: 4-(cyclohexylamino)-4-oxobut-2-enoic acid
Article Data: 13
Molecular Structure:
Molecular Structure of 21477-59-8 (4-(cyclohexylamino)-4-oxobut-2-enoic acid)
Formula: C10H15NO3
Molecular Weight: 197.234
Synonyms: 2-Butenoic acid,4-(cyclohexylamino)-4-oxo-, (Z)-;
Density: 1.16 g/cm3
Boiling Point: 430.9 °C at 760 mmHg
Flash Point: 214.4 °C
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Specification

The 2-Butenoic acid, 4-(cyclohexylamino)-4-oxo-, (2Z)-, with the CAS registry number 21477-59-8, is also known as 2-Butenoic acid, 4-(cyclohexylamino)-4-oxo-, (Z)-. This chemical's molecular formula is C10H15NO3 and molecular weight is 197.231. What's more, its systematic name is (2Z)-4-(Cyclohexylamino)-4-oxobut-2-enoic acid.

Physical properties about 2-Butenoic acid, 4-(cyclohexylamino)-4-oxo-, (2Z)- are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -2.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 51.6 cm3; (15)Molar Volume: 168.7 cm3; (16)Polarizability: 20.45×10-24 cm3; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 214.4 °C; (20)Enthalpy of Vaporization: 75.27 kJ/mol; (21)Boiling Point: 430.9 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CCCCC1)/C=C\C(=O)O
(2) InChI: InChI=1/C10H15NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)(H,13,14)/b7-6-
(3) InChIKey: DEWAGGNAHQGYBD-SREVYHEPBX