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Cas Database |
| Name |
Acetic acid, 2-nitro-,phenylmethyl ester |
EINECS | N/A |
| CAS No. | 30563-27-0 | Density | 1.259 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H9NO4 | Boiling Point | 304.6 °C at 760 mmHg |
| Molecular Weight | 195.175 | Flash Point | 141.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aceticacid, nitro-, benzyl ester (6CI,8CI);NSC 272342;Acetic acid, nitro-, phenylmethyl ester(9CI);Benzyl nitroacetate;NSC272342;AC1L84BA;CID321455;CBDivE_002160;Benzyl 2-nitroacetate; |
Article Data | 7 |
Acetic acid, 2-nitro-,phenylmethyl ester Specification
The Acetic acid, 2-nitro-,phenylmethyl ester with CAS registry number of 30563-27-0 is also known as Benzyl nitroacetate. The IUPAC name is Benzyl 2-nitroacetate. In addition, the formula is C9H9NO4 and the molecular weight is 195.17.
Physical properties about Acetic acid, 2-nitro-,phenylmethyl ester are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)5 #H bond donors: 0; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 72.12Å2; (6)Index of Refraction: 1.534; (7)Molar Refractivity: 48.23 cm3; (8)Molar Volume: 155 cm3; (9)Polarizability: 19.12×10-24cm3; (10)Surface Tension: 47.4 dyne/cm; (11)Density: 1.259 g/cm3; (12)Flash Point: 141.1 °C; (13)Enthalpy of Vaporization: 54.5 kJ/mol; (14)Boiling Point: 304.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000864 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: [O-][N+](=O)CC(=O)OCc1ccccc1
2. InChI: InChI=1/C9H9NO4/c11-9(6-10(12)13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2
3. InChIKey: BJADPMIJHRXIRO-UHFFFAOYAK
4. Std. InChI: InChI=1S/C9H9NO4/c11-9(6-10(12)13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2
5. Std. InChIKey: BJADPMIJHRXIRO-UHFFFAOYSA-N
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