Basic Information | Post buying leads | Suppliers |
Name |
3-(Hydroxycarbamoyl)propanoic acid |
EINECS | N/A |
CAS No. | 4743-99-1 | Density | 1.437 g/cm3 |
PSA | 86.63000 | LogP | -0.25250 |
Solubility | N/A | Melting Point |
82-86 °C(Solv: acetonitrile (75-05-8)) |
Formula | C4H7NO4 | Boiling Point | N/A |
Molecular Weight | 133.104 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(Hydroxyamino)-4-oxobutanoic acid; |
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