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CAS No.: | 4707-50-0 |
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Name: | 2,4-Dihydroxy-6-propylbenzoic acid |
Molecular Structure: | |
Formula: | C10H12O4 |
Molecular Weight: | 196.203 |
Synonyms: | Benzoic acid, 2,4-dihydroxy-6-propyl-;Benzoic acid,2,4-dihydroxy-6-propyl-;2,4-dihydroxy-6-propyl-benzoic acid;2,4-DIHYDROXY-6-PROPYLBENZOIC ACID; |
Density: | 1.324 g/cm3 |
Melting Point: | 169 °C (decomp) |
Boiling Point: | 385.8 °C at 760 mmHg |
Flash Point: | 201.3 °C |
PSA: | 77.76000 |
LogP: | 1.74850 |
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The Divaric acid is an organic compound with the formula C10H12O4. The IUPAC name of this chemical is 2,4-dihydroxy-6-propylbenzoic acid. With the CAS registry number 4707-50-0, it is also named as Benzoic acid, 2,4-dihydroxy-6-propyl-.
Physical properties about Divaric acid are: (1)ACD/LogP: 3.12; (2)ACD/LogD (pH 5.5): 0.23; (3)ACD/LogD (pH 7.4): -0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.52; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 44.76 Å2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 51.12 cm3; (14)Molar Volume: 148.1 cm3; (15)Polarizability: 20.26×10-24cm3; (16)Surface Tension: 62 dyne/cm; (17)Density: 1.324 g/cm3; (18)Flash Point: 201.3 °C; (19)Enthalpy of Vaporization: 66.94 kJ/mol; (20)Boiling Point: 385.8 °C at 760 mmHg; (21)Vapour Pressure: 1.21E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cc(O)cc1O)CCC
(2)InChI: InChI=1/C10H12O4/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14)
(3)InChIKey: RIVVNGIVVYEIRS-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H12O4/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h4-5,11-12H,2-3H2,1H3,(H,13,14)
(5)Std. InChIKey: RIVVNGIVVYEIRS-UHFFFAOYSA-N