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CAS No.: | 4743-99-1 |
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Name: | 4-(Hydroxyamino)-4-oxobutanoic acid |
Molecular Structure: | |
Formula: | C4H7NO4 |
Molecular Weight: | 133.104 |
Synonyms: | 4-(Hydroxyamino)-4-oxobutanoic acid; |
Density: | 1.437 g/cm3 |
Melting Point: | 82-86 °C(Solv: acetonitrile (75-05-8)) |
PSA: | 86.63000 |
LogP: | -0.25250 |
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The 3-(Hydroxycarbamoyl)propanoic acid, with the CAS registry number 4743-99-1, is also known as Butanoic acid, 4-(hydroxyamino)-4-oxo-. This chemical's molecular formula is C4H7NO4 and molecular weight is 133.10. What's more, its systematic name is called 4-(Hydroxyamino)-4-oxobutanoic acid.
Physical properties about 3-(Hydroxycarbamoyl)propanoic acid are: (1)ACD/LogP: -0.711; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -2.87; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.46; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 86.63 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 27.304 cm3; (15)Molar Volume: 92.63 cm3; (16)Polarizability: 10.824×10-24cm3; (17)Surface Tension: 64.830 dyne/cm; (18)Density: 1.437 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCC(=O)NO
(2) InChI: InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
(3) InChIKey: AGEUQNZXCIVHPB-UHFFFAOYSA-N