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Home > Boronic Acids > 1309981-44-9
1309981-44-9 | 4-METHOXYCARBONYLPYRIDINE-3-BORONIC ACID
CAS No: 1309981-44-9 Catalog No: AG000V8Q MDL No:MFCD08704676
Product Description
Catalog Number:
AG000V8Q
Chemical Name:
4-METHOXYCARBONYLPYRIDINE-3-BORONIC ACID
CAS Number:
1309981-44-9
Molecular Formula:
C21H24B3N3O12
Molecular Weight:
542.8612
MDL Number:
MFCD08704676
IUPAC Name:
(4-methoxycarbonylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C7H8BNO4/c1-13-7(10)5-2-3-9-4-6(5)8(11)12/h2-4,11-12H,1H3
InChI Key:
JXUFTTGMXYTBLS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccncc1B(O)O.COC(=O)c1ccncc1B(O)O.COC(=O)c1ccncc1B(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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