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CAS No.: | 5416-09-1 |
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Name: | [2-(carbamoylamino)phenoxy]acetic acid |
Molecular Structure: | |
Formula: | C9H10N2O4 |
Molecular Weight: | 210.19 |
Synonyms: | Aceticacid, (o-ureidophenoxy)- (8CI);NSC 11341;[2-(Carbamoylamino)phenoxy]acetic acid;AC1L5COB;AC1Q5JG6;KST-1A0343;AR-1A8783;CID223589;2-[2-(Carbamoylamino)phenoxy]acetic acid; |
Density: | 1.451 g/cm3 |
Boiling Point: | 403.2 °C at 760 mmHg |
Flash Point: | 197.6 °C |
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The Acetic acid,2-[2-[(aminocarbonyl)amino]phenoxy]- with CAS registry number of 5416-09-1 is also known as [2-(Carbamoylamino)phenoxy]acetic acid. The IUPAC name is 2-[2-(Carbamoylamino)phenoxy]acetic acid. In addition, the formula is C9H10N2O4 and the molecular weight is 210.19.
Physical properties about Acetic acid,2-[2-[(aminocarbonyl)amino]phenoxy]- are: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 59.08Å2; (7)Index of Refraction: 1.641; (8)Molar Refractivity: 52.3 cm3; (9)Molar Volume: 144.8 cm3; (10)Polarizability: 20.73×10-24cm3; (11)Surface Tension: 69.7 dyne/cm; (12)Density: 1.451 g/cm3; (13)Flash Point: 197.6 °C; (14)Enthalpy of Vaporization: 69.01 kJ/mol; (15)Boiling Point: 403.2 °C at 760 mmHg; (16)Vapour Pressure: 3.17E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(N)Nc1ccccc1OCC(=O)O
2. InChI: InChI=1/C9H10N2O4/c10-9(14)11-6-3-1-2-4-7(6)15-5-8(12)13/h1-4H,5H2,(H,12,13)(H3,10,11,14)
3. InChIKey: JVSMDKVHVOOZFY-UHFFFAOYAB
4. Std. InChI: InChI=1S/C9H10N2O4/c10-9(14)11-6-3-1-2-4-7(6)15-5-8(12)13/h1-4H,5H2,(H,12,13)(H3,10,11,14)
5. Std. InChIKey: JVSMDKVHVOOZFY-UHFFFAOYSA-N