Cas no 600726-67-8 ( )
structure
Product Name:
CAS No:600726-67-8
MF:C6H8BNO3
MW:152.943621635437
CID:951191
PubChem ID:45090882
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- BORONIC ACID, (5-METHOXY-2-PYRIDINYL)- (9CI)
- (5-Methoxypyridin-2-yl)boronic acid
- boronic acid, B-(5-methoxy-2-pyridinyl)-
- LogP
- DB-100817
- SCHEMBL426511
- DTXSID10975497
- AB48963
- 3-METHOXYPYRIDINE-6-BORONIC ACID
- 5-methoxypyridin-2-ylboronic acid
- 5-Methoxy-2-pyridinylboronic acid
- 5-Methoxypyridine-2-boronic acid
- (5-methoxy-2-pyridyl)boronic acid
- A894220
- EN300-251677
- DB-010610
- 600726-67-8
- QXWTVLPBRHGDBI-UHFFFAOYSA-N
- 1142944-78-2
- AKOS006290805
- SY036951
- MFCD08752653
- CS-0082324
- AS-38160
-
-
- Inchi: 1S/C6H8BNO3/c1-11-5-2-3-6(7(9)10)8-4-5/h2-4,9-10H,1H3
- InChI Key: QXWTVLPBRHGDBI-UHFFFAOYSA-N
- SMILES: O(C)C1=CN=C(B(O)O)C=C1
Computed Properties
- Exact Mass: 152.06334
- Monoisotopic Mass: 153.06
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 62.6A^2
Experimental Properties
- Density: 1.24
- Boiling Point: 342.9°C at 760 mmHg
- Flash Point: 161.2°C
- Refractive Index: 1.523
- PSA: 62.58
- LogP: -1.23000
Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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