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Home > Boronic Acids > 1150114-30-9
1150114-30-9 | 2-Pyridinecarboxylic acid, 4-borono-, 2-methyl ester
CAS No: 1150114-30-9 Catalog No: AG000FLT MDL No:MFCD11504840
Product Description
Catalog Number:
AG000FLT
Chemical Name:
2-Pyridinecarboxylic acid, 4-borono-, 2-methyl ester
CAS Number:
1150114-30-9
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
MDL Number:
MFCD11504840
IUPAC Name:
(2-methoxycarbonylpyridin-4-yl)boronic acid
InChI:
InChI=1S/C7H8BNO4/c1-13-7(10)6-4-5(8(11)12)2-3-9-6/h2-4,11-12H,1H3
InChI Key:
ZTZZDNQZEWCDEP-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccc(c1)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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