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103204-80-4

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Basic Information
CAS No.: 103204-80-4
Name: 2-METHYL-2,3-DIHYDRO-BENZOFURAN-5-CARBOXYLIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 103204-80-4 (2-METHYL-2,3-DIHYDRO-BENZOFURAN-5-CARBOXYLIC ACID)
Formula: C10H10O3
Molecular Weight: 178.188
Synonyms: 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid;
Density: 1.254 g/cm3
Melting Point: 149-150 °C
Boiling Point: 333.1 ºC at 760 mmHg
Flash Point: 136.2 ºC
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 46.53000
LogP: 1.70820
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Specification

The CAS registry number of 103204-80-4 is called 5-Benzofurancarboxylicacid,2,3-dihydro-2-methyl- with . The IUPAC name is 2-Methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid. In addition, the formula is C10H10O3 and the molecular weight is 178.18. It has irritant.

Physical properties about this chemical are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 4.37; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 52.07; (8)ACD/KOC (pH 7.4): 1.09; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 47.05 cm3; (15)Molar Volume: 142 cm3; (16)Polarizability: 18.65 ×10-24cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.254 g/cm3; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 60.79 kJ/mol ; (21)Boiling Point: 333.1 °C at 760 mmHg; (22)Vapour Pressure: 5.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc1c(OC(C1)C)cc2
(2)InChI: InChI=1/C10H10O3/c1-6-4-8-5-7(10(11)12)2-3-9(8)13-6/h2-3,5-6H,4H2,1H3,(H,11,12)
(3)InChIKey: NXNQXQFRCVUXIN-UHFFFAOYAI