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Home > Boronic Acids > 1072952-50-1
1072952-50-1 | (3-Methoxypyridin-4-yl);boronic acid hydrate
CAS No: 1072952-50-1 Catalog No: AG003BSQ MDL No:MFCD06801698
Product Description
Catalog Number:
AG003BSQ
Chemical Name:
(3-Methoxypyridin-4-yl);boronic acid hydrate
CAS Number:
1072952-50-1
Molecular Formula:
C6H10BNO4
Molecular Weight:
170.9589
MDL Number:
MFCD06801698
IUPAC Name:
(3-methoxypyridin-4-yl)boronic acid;hydrate
InChI:
InChI=1S/C6H8BNO3.H2O/c1-11-6-4-8-3-2-5(6)7(9)10;/h2-4,9-10H,1H3;1H2
InChI Key:
CQXPAWKLNDTCJJ-UHFFFAOYSA-N
SMILES:
COc1cnccc1B(O)O.O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
170.959g/mol
Monoisotopic Mass:
171.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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