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Home > Boronic Acids > 1217500-64-5
1217500-64-5 | 1H-Pyrrole-2-carboxylic acid, 5-borono-, 2-methyl ester
CAS No: 1217500-64-5 Catalog No: AG0015R8 MDL No:MFCD15143454
Product Description
Catalog Number:
AG0015R8
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-borono-, 2-methyl ester
CAS Number:
1217500-64-5
Molecular Formula:
C6H8BNO4
Molecular Weight:
168.9430
MDL Number:
MFCD15143454
IUPAC Name:
(5-methoxycarbonyl-1H-pyrrol-2-yl)boronic acid
InChI:
InChI=1S/C6H8BNO4/c1-12-6(9)4-2-3-5(8-4)7(10)11/h2-3,8,10-11H,1H3
InChI Key:
OERJCWGVVLKNIL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc([nH]1)B(O)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.943g/mol
Monoisotopic Mass:
169.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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