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610-04-8

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Basic Information
CAS No.: 610-04-8
Name: 3-FORMYLSALICYLIC ACID, 97
Article Data: 10
Molecular Structure:
Molecular Structure of 610-04-8 (3-FORMYLSALICYLIC ACID, 97)
Formula: C8H6O4
Molecular Weight: 166.133
Synonyms: Isophthalaldehydicacid, 2-hydroxy- (6CI,7CI,8CI);2-Hydroxyisophthalaldehydic acid;3-Aldehydesalicylic acid;3-Carboxy-2-hydroxybenzaldehyde;3-Carboxysalicylaldehyde;3-Formyl-2-hydroxybenzoic acid;NSC 55753;
Density: 1.483 g/cm3
Melting Point: 177.5°C
Boiling Point: 306.864 °C at 760 mmHg
Flash Point: 153.61 °C
Appearance: beige to light brown crystalline powder
PSA: 74.60000
LogP: 0.90290
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Specification

The 3-Formylsalicylic acid, with the CAS registry number 610-04-8, is also known as 3-Carboxy-2-hydroxybenzaldehyde. This chemical's molecular formula is C8H6O4 and molecular weight is 166.13. What's more, its systematic name is 3-Formyl-2-hydroxybenzoic acid. 

Physical properties of 3-Formylsalicylic acid are: (1)ACD/LogP: 2.359; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 74.6 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 41.817 cm3; (15)Molar Volume: 112.059 cm3; (16)Polarizability: 16.578×10-24cm3; (17)Surface Tension: 74.7 dyne/cm; (18)Density: 1.483 g/cm3; (19)Flash Point: 153.61 °C; (20)Enthalpy of Vaporization: 57.801 kJ/mol; (21)Boiling Point: 306.864 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cccc(C=O)c1O
(2)Std. InChI: InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)
(3)Std. InChIKey: YOEUNKPREOJHBW-UHFFFAOYSA-N