2-Propenoic acid,3-[3-nitro-4-(1-pyrrolidinyl)phenyl]- supplier

Name
3-(3-NITRO-4-TETRAHYDRO-1H-PYRROL-1-YLPHENYL)ACRYLIC ACID
EINECS
CAS No. 175278-41-8
Density 1.37 g/cm³
Solubility
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
Appearance
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;
PSA 86.36000
LogP 2.88100

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^-24cm³; (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^-10mmHg 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.

Product Name

3-(3-NITRO-4-TETRAHYDRO-1H-PYRROL-1-YLPHENYL)ACRYLIC ACID

2-Propenoic acid,3-[3-nitro-4-(1-pyrrolidinyl)phenyl]- Specification

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