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CAS No.: | 179055-26-6 |
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Name: | 4-(N,O-DIMETHYLHYDROXYLAMINOCARBONYL)PHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C9H12BNO4 |
Molecular Weight: | 209.01 |
Synonyms: | Boronicacid, [4-[(methoxymethylamino)carbonyl]phenyl]- (9CI);{4-[methoxy(methyl)carbamoyl]phenyl}boronic acid;boronic acid, B-[4-[(methoxymethylamino)carbonyl]phenyl]-; |
Density: | 1.25 g/cm3 |
Melting Point: | 118-124 °C |
Boiling Point: | 438.2 °C at 760 mmHg |
Flash Point: | 218.8 °C |
Hazard Symbols: | Xi |
PSA: | 70.00000 |
LogP: | -1.00020 |
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The Boronic acid,B-[4-[(methoxymethylamino)carbonyl]phenyl]-, with the CAS registry number 179055-26-6, has the systematic name {4-[methoxy(methyl)carbamoyl]phenyl}boronic acid. It belongs to the following product categories: Blocks; BoronicAcids; Aryl; Organoborons. And the molecular formula of the chemical is C9H12BNO4.
The characteristics of Boronic acid,B-[4-[(methoxymethylamino)carbonyl]phenyl]- are as followings: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 48 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 52.91 cm3; (9)Molar Volume: 166.1 cm3; (10)Polarizability: 20.97×10-24cm3; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.25 g/cm3; (13)Flash Point: 218.8 °C; (14)Enthalpy of Vaporization: 73.25 kJ/mol; (15)Boiling Point: 438.2 °C at 760 mmHg; (16)Vapour Pressure: 1.87E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(B(O)O)cc1)N(OC)C
(2)InChI: InChI=1/C9H12BNO4/c1-11(15-2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,1-2H3
(3)InChIKey: PISDDPDFGJLSQA-UHFFFAOYAB