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4771-81-7

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Basic Information
CAS No.: 4771-81-7
Name: Cyclohex-3-ene-1-carboxamide
Article Data: 4
Molecular Structure:
Molecular Structure of 4771-81-7 (Cyclohex-3-ene-1-carboxamide)
Formula: C7H11NO
Molecular Weight: 125.1683
Synonyms: Cyclohex-3-ene-1-carboxamide
Density: 1.059g/cm3
Boiling Point: 284°C at 760mmHg
Flash Point: 125.6°C
PSA: 43.09000
LogP: 1.52830
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Specification

The Cyclohex-3-ene-1-carboxamide with cas registry number of 4771-81-7, belongs to the following product categorie: Ring Systems. Its systematic name and its IUPAC name are the same, which is cyclohex-3-ene-1-carboxamide.

Physical properties about this chemical are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.44; (6)ACD/BCF (pH 7.4): 1.44; (7)ACD/KOC (pH 5.5): 45.13; (8)ACD/KOC (pH 7.4): 45.13; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 35.38 cm3; (15)Molar Volume: 118.1 cm3; (16)Polarizability: 14.02×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Enthalpy of Vaporization: 52.3 kJ/mol; (19)Vapour Pressure: 0.00305 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(N)C1C\C=C/CC1
(2)InChI: InChI=1/C7H11NO/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,8,9)
(3)InChIKey: VSCLUBLXOWRBCQ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H11NO/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H2,8,9)
(5)Std. InChIKey: VSCLUBLXOWRBCQ-UHFFFAOYSA-N