Home >> Chemicals Listing >> hot product list by 2  

2H-Pyran-3-carboxaldehyde,5,6-dihydro- (13417-49-7)

Identification
Name:2H-Pyran-3-carboxaldehyde,5,6-dihydro-
Synonyms:3-Formyl-5,6-dihydro-2H-pyran;5,6-Dihydro-2H-pyran-3-carboxaldehyde
CAS:13417-49-7
EINECS: 236-515-4
Molecular Formula: C6H8 O2
Molecular Weight: 0
InChI: InChI=1/C6H8O2/c7-4-6-2-1-3-8-5-6/h2,4H,1,3,5H2
Molecular Structure: (C6H8O2) 3-Formyl-5,6-dihydro-2H-pyran;5,6-Dihydro-2H-pyran-3-carboxaldehyde
Properties
Flash Point: 86.6°C
Boiling Point: 201.9°C at 760 mmHg
Density:1.175g/cm3
Refractive index:1.56
Specification:

The 5,6-Dihydro-2H-pyran-3-carbaldehyde, with CAS registry number 13417-49-7, has the systematic name of 5,6-dihydro-2H-pyran-3-carbaldehyde. And its IUPAC name is 3,6-dihydro-2H-pyran-5-carbaldehyde. And the chemical formula of this chemical is C6H8O2. What's more, its EINECS is 236-515-4.

Physical properties of 5,6-Dihydro-2H-pyran-3-carbaldehyde: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.93; (8)ACD/KOC (pH 7.4): 23.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 30.87 cm3; (15)Molar Volume: 95.3 cm3; (16)Polarizability: 12.23×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Enthalpy of Vaporization: 43.81 kJ/mol; (19)Vapour Pressure: 0.3 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C1=C\CCOC1
(2)InChI: InChI=1/C6H8O2/c7-4-6-2-1-3-8-5-6/h2,4H,1,3,5H2
(3)InChIKey: RKXCKEHBMLDWET-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H8O2/c7-4-6-2-1-3-8-5-6/h2,4H,1,3,5H2
(5)Std. InChIKey: RKXCKEHBMLDWET-UHFFFAOYSA-N

Flash Point: 86.6°C
Safety Data