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CAS No.: | 6342-89-8 |
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Name: | 4-tetralin-1-ylbutanoic acid |
Molecular Structure: | |
Formula: | C14H18O2 |
Molecular Weight: | 218.296 |
Synonyms: | 4-Tetralin-1-ylbutanoic acid; |
Density: | 1.083 g/cm3 |
Boiling Point: | 384 °C at 760 mmHg |
Flash Point: | 280.9 °C |
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The CAS registry number of 1-Naphthalenebutanoicacid, 1,2,3,4-tetrahydro- is 6342-89-8. It also known as 4-Tetralin-1-ylbutanoic acid. This chemical's molecular formula is C14H18O2 and molecular weight is 218.2915. What's more, its systematic name is called 4-(1,2,3,4-Tetrahydronaphthalen-1-yl)butanoic acid.
Physical properties about 1-Naphthalenebutanoicacid, 1,2,3,4-tetrahydro- are: (1)ACD/LogP: 3.94; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 63.19 cm3; (9)Molar Volume: 201.4 cm3; (10)Polarizability: 25.05×10-24 cm3; (11)Surface Tension: 44 dyne/cm; (12)Density: 1.083 g/cm3; (13)Flash Point: 280.9 °C; (14)Enthalpy of Vaporization: 66.73 kJ/mol; (15)Boiling Point: 384 °C at 760 mmHg; (16)Vapour Pressure: 1.39E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCC2c1ccccc1CCC2
(2) InChI: InChI=1/C14H18O2/c15-14(16)10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-2,5,9,12H,3-4,6-8,10H2,(H,15,16)
(3) InChIKey: LVOYFQAMCVUSOI-UHFFFAOYAV