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| CAS No.: | 73615-83-5 |
|---|---|
| Name: | 6-Methoxy-5-indanecarbaldehyde |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H12O2 |
| Molecular Weight: | 176.215 |
| Synonyms: | TIMTEC-BB SBB010595;6-METHOXY-5-INDANECARBALDEHYDE;6-METHOXY-INDAN-5-CARBALDEHYDE;6-METHOXYINDANE-5-CARBALDEHYDE;2,3-DIHYDRO-6-METHOXY-1H-INDENE-5-CARBOXALDEHYDE;CHEMBRDG-BB 4015064;ASINEX-REAG BAS 10153942;6-methoxy-2,3-dihydro-1H-indene-5-carbaldehyde |
| Density: | 1.142 g/cm3 |
| Melting Point: | 72.5-73.5 °C(Solv: water (7732-18-5); ethanol (64-17-5)) |
| Boiling Point: | 317.9 °C at 760 mmHg |
| Flash Point: | 149.8 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 26.30000 |
| LogP: | 1.99640 |
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Specification
The 6-Methoxy-5-indanecarbaldehyde, with the cas registry number of 73615-83-5, is also known as 1H-Indene-5-carboxaldehyde, 2,3-dihydro-6-methoxy- and 2,3-Dihydro-6-methoxy-1H-indene-; 5-carboxaldehyde. This chemical's molecular formula is C11H12O2 and formula weight is 176.21. What's more, its systematic name is called 6-Methoxy-2,3-dihydro-1H-indene-5-carbaldehyde.
Physical properties about this chemical are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 84.31; (6)ACD/BCF (pH 7.4): 84.31; (7)ACD/KOC (pH 5.5): 832.05; (8)ACD/KOC (pH 7.4): 832.05; (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: 1.587; (14)Molar Refractivity: 51.85 cm3; (15)Molar Volume: 154.1 cm3; (16)Surface Tension: 43.1 dyne/cm; (17)Density: 1.142 g/cm3; (18)Flash Point: 149.8 °C; (19)Enthalpy of Vaporization: 55.94 kJ/mol; (20)Boiling Point: 317.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000373 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc2c(cc1OC)CCC2;
(2)InChI: InChI=1/C11H12O2/c1-13-11-6-9-4-2-3-8(9)5-10(11)7-12/h5-7H,2-4H2,1H3;
(3)InChIKey: DWWCZKVBNWJJHC-UHFFFAOYAB.