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CAS No.: | 243990-53-6 |
---|---|
Name: | 4-Benzyloxy-3-methoxybenzeneboronic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C14H15BO4 |
Molecular Weight: | 258.082 |
Synonyms: | Boronicacid, [3-methoxy-4-(phenylmethoxy)phenyl]- (9CI); |
Density: | 1.21 g/cm3 |
Melting Point: | 200-203℃ |
Boiling Point: | 444.346 °C at 760 mmHg |
Flash Point: | 222.533 °C |
Hazard Symbols: | Xi |
PSA: | 58.92000 |
LogP: | 0.95400 |
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The Boronic acid,B-[3-methoxy-4-(phenylmethoxy)phenyl]- is an organic compound with the formula C14H15BO4. The systematic name of this chemical is [4-(benzyloxy)-3-methoxyphenyl]boronic acid. With the CAS registry number 243990-53-6, the product's categories are Blocks; BoronicAcids.
Physical properties about Boronic acid,B-[3-methoxy-4-(phenylmethoxy)phenyl]- are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 108; (5)ACD/BCF (pH 7.4): 94; (6)ACD/KOC (pH 5.5): 996; (7)ACD/KOC (pH 7.4): 866; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 58.92 Å2; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 70.732 cm3; (14)Molar Volume: 211.738 cm3; (15)Polarizability: 28.041×10-24cm3; (16)Surface Tension: 49.912 dyne/cm; (17)Density: 1.219 g/cm3; (18)Flash Point: 222.533 °C; (19)Enthalpy of Vaporization: 73.999 kJ/mol; (20)Boiling Point: 444.346 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1OC)B(O)O)Cc2ccccc2
(2)InChI: InChI=1/C14H15BO4/c1-18-14-9-12(15(16)17)7-8-13(14)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3
(3)InChIKey: PBVVDNNISDIUSU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C14H15BO4/c1-18-14-9-12(15(16)17)7-8-13(14)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3
(5)Std. InChIKey: PBVVDNNISDIUSU-UHFFFAOYSA-N