The Aceticacid, 2-(3-formylphenoxy)-, methyl ester with CAS registry number of 37748-10-0 is also known as 3-[(Methoxycarbonyl)methoxy]benzaldehyde. The systematic name is Methyl (3-formylphenoxy)acetate. In addition, the formula is C10H10O4 and the molecular weight is 194.18.
Physical properties about Aceticacid, 2-(3-formylphenoxy)-, methyl ester are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.95; (6)ACD/BCF (pH 7.4): 2.95; (7)ACD/KOC (pH 5.5): 75.51; (8)ACD/KOC (pH 7.4): 75.51; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 50.72 cm3; (15)Molar Volume: 161.5 cm3; (16)Polarizability: 20.1×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.201 g/cm3; (19)Flash Point: 135.1 °C; (20)Enthalpy of Vaporization: 54.79 kJ/mol; (21)Boiling Point: 307.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000729 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=Cc1cc(OCC(=O)OC)ccc1
2. InChI: InChI=1/C10H10O4/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-6H,7H2,1H3
3. InChIKey: AYMQCLGUHSIDFY-UHFFFAOYAL
4. Std. InChI: InChI=1S/C10H10O4/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-6H,7H2,1H3
5. Std. InChIKey: AYMQCLGUHSIDFY-UHFFFAOYSA-N
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