5-Formyl-2-methoxybenzoic Acid supplier

Name
5-Formyl-2-methoxybenzoic Acid
EINECS
CAS No. 84923-70-6
Article Data5
CAS DataBase
Density 1.309 g/cm³
Solubility
Melting Point
Formula C₉H₈O₄
Boiling Point 371.1 °C at 760 mmHg
Molecular Weight 180.16
Flash Point 154.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 5-formyl-2-methoxy-;
PSA 63.60000
LogP 1.20590

5-Formyl-2-methoxybenzoic Acid Specification

The IUPAC name of this chemical is 5-Formyl-2-methoxybenzoic acid. With the CAS registry number 84923-70-6, it is also named as Benzoic acid, 5-formyl-2-methoxy-. It belongs to the classes of Acids and Derivatives; Carbonyl Compounds and API Intermediates. In addition, the formula is C₉H₈O₄ and the molecular weight is 180.16.

Physical properties about 5-Formyl-2-methoxybenzoic acid are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -1.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.28; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 46.61 cm³; (15)Molar Volume: 137.6 cm³; (16)Polarizability: 18.47 ×10^-24cm³; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.309 g/cm³; (19)Flash Point: 154.4 °C; (20)Enthalpy of Vaporization: 65.21 kJ/mol; (21)Boiling Point: 371.1 °C at 760 mmHg; (22)Vapour Pressure: 3.65E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(OC)c(C(=O)O)c1
(2)InChI: InChI=1/C9H8O4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
(3)InChIKey: TTZPGMWNBQKNKX-UHFFFAOYAT

Product Name

5-Formyl-2-methoxybenzoic Acid

5-Formyl-2-methoxybenzoic Acid Specification

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