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Home > Boronic Acids > 1310404-17-1
1310404-17-1 | 6-(METHOXYCARBONYL)PYRIDINE-2-BORONIC ACID
CAS No: 1310404-17-1 Catalog No: AG000VFC MDL No:MFCD08061581
Product Description
Catalog Number:
AG000VFC
Chemical Name:
6-(METHOXYCARBONYL)PYRIDINE-2-BORONIC ACID
CAS Number:
1310404-17-1
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
MDL Number:
MFCD08061581
IUPAC Name:
(6-methoxycarbonylpyridin-2-yl)boronic acid
InChI:
InChI=1S/C7H8BNO4/c1-13-7(10)5-3-2-4-6(9-5)8(11)12/h2-4,11-12H,1H3
InChI Key:
KNNCQFYLDANBIJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(n1)B(O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.954g/mol
Monoisotopic Mass:
181.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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