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CAS No.: | 61855-77-4 |
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Name: | 1-methoxymethylnorborn-5-en-2-one |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H12O2 |
Molecular Weight: | 152.193 |
Synonyms: | 1-(Methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one; |
EINECS: | 263-278-4 |
Density: | 1.138 g/cm3 |
Boiling Point: | 218.1 °C at 760 mmHg |
Flash Point: | 85.6 °C |
PSA: | 26.30000 |
LogP: | 1.16810 |
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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