2-Buten-1-one,1-(3-pyridinyl)-, (E)- (9CI) supplier

Name
2-Buten-1-one,1-(3-pyridinyl)-,(E)-(9CI)
EINECS
CAS No. 100021-45-2
Density 1.045 g/cm³
Solubility
Melting Point
Formula C₉H₉NO
Boiling Point 250.4 °C at 760 mmHg
Molecular Weight 147.17386
Flash Point 111.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (E)-1-pyridin-3-ylbut-2-en-1-one;
PSA 29.96000
LogP 1.84040

2-Buten-1-one,1-(3-pyridinyl)-, (E)- (9CI) Specification

The CAS registry number of 2-Buten-1-one,1-(3-pyridinyl)-, (E)- (9CI) is 100021-45-2. It belongs to the product category of Pyridine. This chemical's molecular formula is C₉H₉NO and molecular weight is 147.1739. Its IUPAC name is called (E)-1-pyridin-3-ylbut-2-en-1-one.

Physical properties of 2-Buten-1-one,1-(3-pyridinyl)-, (E)- (9CI): (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): 1.07; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 3.82; (5)ACD/BCF (pH 7.4): 3.84; (6)ACD/KOC (pH 5.5): 90.76; (7)ACD/KOC (pH 7.4): 91.11; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.532; (11)Molar Refractivity: 43.69 cm³; (12)Molar Volume: 140.8 cm³; (13)Surface Tension: 39.6 dyne/cm; (14)Density: 1.045 g/cm³; (15)Flash Point: 111.7 °C; (16)Enthalpy of Vaporization: 48.77 kJ/mol; (17)Boiling Point: 250.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0217 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC=CC(=O)C1=CN=CC=C1
(2)Isomeric SMILES: C/C=C/C(=O)C1=CN=CC=C1
(3)InChI: InChI=1S/C9H9NO/c1-2-4-9(11)8-5-3-6-10-7-8/h2-7H,1H3/b4-2+
(4)InChIKey: ZXESZGKRPDKHDW-DUXPYHPUSA-N

Product Name

2-Buten-1-one,1-(3-pyridinyl)-,(E)-(9CI)

2-Buten-1-one,1-(3-pyridinyl)-, (E)- (9CI) Specification

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