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| Name |
2-Propenoic acid,3-[3-nitro-4-(1-pyrrolidinyl)phenyl]- |
EINECS | N/A |
| CAS No. | 175278-41-8 | Density | 1.37 g/cm3 |
| PSA | 86.36000 | LogP | 2.88100 |
| Solubility | N/A | Melting Point |
243 °C |
| Formula | C13H14N2O4 | Boiling Point | 483.9 °C at 760 mmHg |
| Molecular Weight | 262.26 | Flash Point | 246.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:Irritant; |
|
| Molecular Structure |
|
Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Synonyms |
(2E)-3-(3-nitro-4-pyrrolidinylphenyl)prop-2-enoic acid; |
2-Propenoic acid,3-[3-nitro-4-(1-pyrrolidinyl)phenyl]- Specification
The 2-Propenoic acid,3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-, with the CAS registry number 175278-41-8, is also known as (2E)-3-(3-nitro-4-pyrrolidinylphenyl)prop-2-enoic acid. This chemical's molecular formula is C13H14N2O4 and molecular weight is 262.26.What's more, its systematic name is (2E)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enoic acid.
Physical properties about 2-Propenoic acid,3-[3-nitro-4-(1-pyrrolidinyl)phenyl]- are: (1)ACD/LogP: 4.11; (2)of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 75.08; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 393.84; (8)ACD/KOC (pH 7.4): 6.26; (9)H bond acceptors: 6; (10)H bond donors: 1; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.36 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 70.45 cm3; (15)Molar Volume: 191.4 cm3; (16)Polarizability: 27.93×10-24 cm3; (17)Surface Tension: 66.2 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 246.5 °C; (20)Enthalpy of Vaporization: 78.91 kJ/mol; (21)Boiling Point: 483.9 °C at 760 mmHg; (22)Vapour Pressure: 3.54×10-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES:[O-][N+](=O)c1cc(\C=C\C(=O)O)ccc1N2CCCC2CopyCopied;
(2)InChI:InChI=1/C13H14N2O4/c16-13(17)6-4-10-3-5-11(12(9-10)15(18)19)14-7-1-2-8-14/h3-6,9H,1-2,7-8H2,(H,16,17)/b6-4+ CopyCopied;
(3)InChIKey:UDLTYRICBOUKIU-GQCTYLIABF.
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