-
Name
3-(CYCLOPROPYLMETHOXY)BENZENEBORONIC ACID
- EINECS
- CAS No. 411229-76-0
- Density 1.19 g/cm3
- Solubility
- Melting Point
- Formula C10H13BO3
- Boiling Point 373.4 °C at 760 mmHg
- Molecular Weight 192.02
- Flash Point 179.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms Boronicacid, [3-(cyclopropylmethoxy)phenyl]- (9CI);3-(Cyclopropylmethoxy)phenylboronic acid;
- PSA 49.69000
- LogP 0.15520
Boronic acid,B-[3-(cyclopropylmethoxy)phenyl]- Specification
The Boronic acid,B-[3-(cyclopropylmethoxy)phenyl]- is an organic compound with the formula C10H13BO3. The systematic name of this chemical is [3-(cyclopropylmethoxy)phenyl]boronic acid. With the CAS registry number 411229-76-0, it is also named as 3-(Cyclopropylmethoxy)benzeneboronic acid.
Physical properties about Boronic acid,B-[3-(cyclopropylmethoxy)phenyl]- are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 2.33; (4)ACD/BCF (pH 5.5): 39.36; (5)ACD/BCF (pH 7.4): 33.11; (6)ACD/KOC (pH 5.5): 481.99; (7)ACD/KOC (pH 7.4): 405.49; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 27.69 Å2; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 51.48 cm3; (14)Molar Volume: 160.6 cm3; (15)Polarizability: 20.4×10-24cm3; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.19 g/cm3; (18)Flash Point: 179.6 °C; (19)Enthalpy of Vaporization: 65.48 kJ/mol; (20)Boiling Point: 373.4 °C at 760 mmHg; (21)Vapour Pressure: 3.08E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1)B(O)O)CC2CC2
(2)InChI: InChI=1/C10H13BO3/c12-11(13)9-2-1-3-10(6-9)14-7-8-4-5-8/h1-3,6,8,12-13H,4-5,7H2
(3)InChIKey: JKQCWRCXYIUCCN-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H13BO3/c12-11(13)9-2-1-3-10(6-9)14-7-8-4-5-8/h1-3,6,8,12-13H,4-5,7H2
(5)Std. InChIKey: JKQCWRCXYIUCCN-UHFFFAOYSA-N
Related Products
- Boronic acid, (10-[1,1'-biphenyl]-4-yl-9-anthracenyl)-
- Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI)
- Boronic acid, 2,5-benzofurandiylbis-
- Boronic acid, 2-dibenzofuranyl-
- Boronic acid, B-(2,6-diethoxy-3-pyridinyl)-
- Boronic acid, B-(2,6-difluoro-3-pyridinyl)-, hydrate (1:1)
- Boronic acid, B-(2,6-difluoro-4-methoxyphenyl)-
- Boronic acid, B-(2-amino-5-fluorophenyl)-
- Boronic acid, B-(2-chloro-3-fluoro-4-pyridinyl)-
- Boronic acid, B-(2-fluorophenyl)-
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