CAS No.79950-42-8,2-ALLYL-3-HYDROXYBENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79950-42-8
Name:	2-ALLYL-3-HYDROXYBENZALDEHYDE
Article Data:	15

Formula:	C₁₀H₁₀O₂
Molecular Weight:	162.188
Synonyms:	Benzaldehyde,3-hydroxy-2-(2-propenyl)- (9CI);
EINECS:	807-729-0
Density:	1.126 g/cm³
Melting Point:	102-103 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
Boiling Point:	274.4 °C at 760 mmHg
Flash Point:	114.6 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	37.30000
LogP:	1.93320

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Specification

The CAS registry number of Benzaldehyde,3-hydroxy-2-(2-propen-1-yl)- is 79950-42-8. This chemical's molecular formula is C₁₀H₁₀O₂ and molecular weight is 162.19. What's more, its systematic name is called 3-Hydroxy-2-prop-2-en-1-ylbenzaldehyde.

Physical properties about Benzaldehyde,3-hydroxy-2-(2-propen-1-yl)- are: (1)ACD/LogP: 2.27; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.16; (6)ACD/BCF (pH 7.4): 30.95; (7)ACD/KOC (pH 5.5): 408.07; (8)ACD/KOC (pH 7.4): 405.36; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 48.79 cm³; (15)Molar Volume: 143.9 cm³; (16)Polarizability: 19.34×10^-24 cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.126 g/cm³; (19)Flash Point: 114.6 °C; (20)Enthalpy of Vaporization: 53.34 kJ/mol; (21)Boiling Point: 274.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00323 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cccc(O)c1C/C=C
(2) InChI: InChI=1/C10H10O2/c1-2-4-9-8(7-11)5-3-6-10(9)12/h2-3,5-7,12H,1,4H2
(3) InChIKey: QVHRAGBOMUXWRI-UHFFFAOYAV