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27602-75-1

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Basic Information
CAS No.: 27602-75-1
Name: 6-methoxy-alpha-methylnaphthalen-1-acetaldehyde
Article Data: 27
Molecular Structure:
Molecular Structure of 27602-75-1 (6-methoxy-alpha-methylnaphthalen-1-acetaldehyde)
Formula: C14H14O2
Molecular Weight: 214.264
Synonyms: 6-Methoxy-α-methylnaphthalen-1-acetaldehyde;
EINECS: 248-558-6
Density: 1.099 g/cm3
Melting Point: 42 °C
Boiling Point: 356.8 °C at 760 mmHg
Flash Point: 161.9 °C
Appearance: light yellow crystal
PSA: 26.30000
LogP: 3.15080
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Specification

The 2-Naphthaleneacetaldehyde,6-methoxy-a-methyl-, with the CAS registry number of 27602-75-1, is also known as 6-Methoxy-α-methylnaphthalen-1-acetaldehyde. Its EINECS registry number is 248-558-6. Its molecular formula is C14H14O2 and molecular weight is 214.25976. What's more, its IUPAC name is 2-(6-Methoxynaphthalen-2-yl)propanal.

Physical properties about the 2-Naphthaleneacetaldehyde,6-methoxy-a-methyl- are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 180.75; (6)ACD/BCF (pH 7.4): 180.75; (7)ACD/KOC (pH 5.5): 1436.25; (8)ACD/KOC (pH 7.4): 1436.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 65.14 cm3; (15)Molar Volume: 194.9 cm3; (16)Surface Tension: 40.4 dyne/cm; (17)Density: 1.099 g/cm3; (18)Flash Point: 161.9 °C; (19)Enthalpy of Vaporization: 60.21 kJ/mol; (20)Boiling Point: 356.8 °C at 760 mmHg; (21)Vapour Pressure: 2.86E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CC(C)c2cccc1cc(ccc12)OC
(2) InChI: InChI=1/C14H14O2/c1-10(9-15)13-5-3-4-11-8-12(16-2)6-7-14(11)13/h3-10H,1-2H3
(3) InChIKey: PCFIDGCMVMTREH-UHFFFAOYAG