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3566-52-7

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Basic Information
CAS No.: 3566-52-7
Name: 2-amino-4-methyl-pent-4-enoic acid
Molecular Structure:
Molecular Structure of 3566-52-7 (2-amino-4-methyl-pent-4-enoic acid)
Formula: C6H11NO2
Molecular Weight: 129.15704
Synonyms: 4,5-Dehydro-DL-leucine;DL-Methallylglycine;Methallylglycine;NSC 21947;
Density: 1.066 g/cm3
Boiling Point: 234.3 °C at 760 mmHg
Flash Point: 95.5 °C
PSA: 63.32000
LogP: 1.06480
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    CAS: 3566-52-7 MF: C6H11NO2 2-amino-4-methyl-pent-4-enoic acid

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Specification

The 4-Pentenoic acid,2-amino-4-methyl-, with the CAS registry number 3566-52-7, is also known as 2-Amino-4-methyl pentenoic acid. Its molecular formula is C6H11NO2 and its molecular weight is 129.15704. Additionally, its systematic name is 4-methylidenenorvaline. 

Other characteristics of the 4-Pentenoic acid,2-amino-4-methyl- can be summarised as followings: (1)ACD/LogP: 0.81; (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: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.48; (12)Molar Refractivity: 34.47 cm3; (13)Molar Volume: 121.1 cm3; (14)Polarizability: 13.66×10-24cm3; (15)Surface Tension: 39.7 dyne/cm; (16)Density: 1.066 g/cm3; (17)Flash Point: 95.5 °C; (18)Enthalpy of Vaporization: 51.88 kJ/mol; (19)Boiling Point: 234.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0185 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)C(N)CC(=C)\C
2.InChI: InChI=1/C6H11NO2/c1-4(2)3-5(7)6(8)9/h5H,1,3,7H2,2H3,(H,8,9)
3.InChIKey: PABWDKROPVYJBH-UHFFFAOYAE