Bicyclo[2.2.1]hept-5-en-2-one,1-(methoxymethyl)- supplier

Name
1-methoxymethylnorborn-5-en-2-one
EINECS 263-278-4
CAS No. 61855-77-4
Article Data1
CAS DataBase
Density 1.138 g/cm³
Solubility
Melting Point
Formula C₉H₁₂O₂
Boiling Point 218.1 °C at 760 mmHg
Molecular Weight 152.193
Flash Point 85.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one;
PSA 26.30000
LogP 1.16810

Bicyclo[2.2.1]hept-5-en-2-one,1-(methoxymethyl)- Specification

The Bicyclo[2.2.1]hept-5-en-2-one,1-(methoxymethyl)-, with the CAS registry number 61855-77-4, is also known as 1-(Methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one. Its EINECS registry number is 263-278-4. This chemical's molecular formula is C₉H₁₂O₂ and molecular weight is 152.1904. What's more, its IUPAC name is 4-(Methoxymethyl)bicyclo[2.2.1]hept-2-en-5-one.

Physical properties about Bicyclo[2.2.1]hept-5-en-2-one,1-(methoxymethyl)- are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4) ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.29; (8)ACD/KOC (pH 7.4): 27.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.526; (14) Molar Refractivity: 41.04 cm³; (15)Molar Volume: 133.6 cm³; (16)Polarizability: 16.27×10^-24cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.138 g/cm³; (19)Flash Point: 85.6 °C; (20)Enthalpy of Vaporization: 45.45 kJ/mol; (21)Boiling Point: 218.1 °C at 760 mmHg; (22)Vapour Pressure: 0.128 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CC2\C=C/C1(COC)C2
(2) InChI: InChI=1/C9H12O2/c1-11-6-9-3-2-7(5-9)4-8(9)10/h2-3,7H,4-6H2,1H3
(3) InChIKey: FDMWTALBJHAXIG-UHFFFAOYAH

Product Name

1-methoxymethylnorborn-5-en-2-one

Bicyclo[2.2.1]hept-5-en-2-one,1-(methoxymethyl)- Specification

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