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88390-28-7

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Basic Information
CAS No.: 88390-28-7
Name: (R)-2-methyl-4-nitrobutanoic acid
Molecular Structure:
Molecular Structure of 88390-28-7 ((R)-2-methyl-4-nitrobutanoic acid)
Formula: C5H9NO4
Molecular Weight: 147.131
Synonyms: (R)-2-methyl-4-nitrobutanoic acid;
Density: 1.238 g/cm3
Boiling Point: 307.148 °C at 760 mmHg
Flash Point: 141.993 °C
PSA: 83.12000
LogP: 0.89710
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Specification

The CAS register number of Butanoic acid, 2-methyl-4-nitro-, (R)- (9CI) is 88390-28-7. It also can be called as (R)-2-methyl-4-nitrobutanoic acid and the IUPAC name about this chemical is (2R)-2-methyl-4-nitrobutanoic acid. The molecular formula about this chemical is C5H9NO4 and the molecular weight is 147.13.

Physical properties about Butanoic acid, 2-methyl-4-nitro-, (R)- (9CI) are: (1)ACD/LogP: 0.21; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.48; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 83.12 Å2; (10)Index of Refraction: 1.463; (11)Molar Refractivity: 32.759 cm3; (12)Molar Volume: 118.85 cm3; (13)Polarizability: 12.987x10-24cm3; (14)Surface Tension: 45.574 dyne/cm; (15)Density: 1.238 g/cm3; (16)Flash Point: 141.993 °C; (17)Enthalpy of Vaporization: 60.239 kJ/mol; (18)Boiling Point: 307.148 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](CC[N+](=O)[O-])C(=O)O
(2)InChI: InChI=1/C5H9NO4/c1-4(5(7)8)2-3-6(9)10/h4H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
(3)InChIKey: OUFURNSEVIXAGV-SCSAIBSYBV
(4)Std. InChI: InChI=1S/C5H9NO4/c1-4(5(7)8)2-3-6(9)10/h4H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
(5)Std. InChIKey: OUFURNSEVIXAGV-SCSAIBSYSA-N