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Basic Information
CAS No.: 757995-98-5
Name: 2,3-Dihydroxy-4-Ethoxy-Benzaldehyde
Molecular Structure:
Molecular Structure of 757995-98-5 (2,3-Dihydroxy-4-Ethoxy-Benzaldehyde)
Formula: C9H10O4
Molecular Weight: 182.176
Synonyms: 4-Ethoxy-2,3-dihydroxybenzaldehyde;benzaldehyde, 4-ethoxy-2,3-dihydroxy-;2,3-Dihydroxy-4-Ethoxybenzaldehyde;
Density: 1.316 g/cm3
Boiling Point: 310.905 °C at 760 mmHg
Flash Point: 124.763 °C
PSA: 66.76000
LogP: 1.30900
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Specification

The Benzaldehyde,4-ethoxy-2,3-dihydroxy-, with the CAS registry number 757995-98-5, has the systematic name of 4-ethoxy-2,3-dihydroxy-benzaldehyde. It is also called 2,3-Dihydroxy-4-Ethoxybenzaldehyde. And the molecular formula of the chemical is C9H10O4.

The characteristics of Benzaldehyde,4-ethoxy-2,3-dihydroxy- are as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.116; (4)ACD/LogD (pH 7.4): 1.928; (5)ACD/BCF (pH 5.5): 23.856; (6)ACD/BCF (pH 7.4): 15.449; (7)ACD/KOC (pH 5.5): 336.388; (8)ACD/KOC (pH 7.4): 217.841; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 66.76 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 48.08 cm3; (15)Molar Volume: 138.468 cm3; (16)Polarizability: 19.061×10-24cm3; (17)Surface Tension: 56.014 dyne/cm; (18)Density: 1.316 g/cm3; (19)Flash Point: 124.763 °C; (20)Enthalpy of Vaporization: 57.378 kJ/mol; (21)Boiling Point: 310.905 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOc1ccc(c(c1O)O)C=O
(2)InChI: InChI=1/C9H10O4/c1-2-13-7-4-3-6(5-10)8(11)9(7)12/h3-5,11-12H,2H2,1H3
(3)InChIKey: WOSWBATZOUYEOH-UHFFFAOYAX