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Home > Boronic Acids > 1313760-58-5
1313760-58-5 | (3-[(1-METHYLPIPERIDIN-2-YL)METHOXY]PHENYL)BORONIC ACID
CAS No: 1313760-58-5 Catalog No: AG01AQMY MDL No:MFCD16653226
Product Description
Catalog Number:
AG01AQMY
Chemical Name:
(3-[(1-METHYLPIPERIDIN-2-YL)METHOXY]PHENYL)BORONIC ACID
CAS Number:
1313760-58-5
Molecular Formula:
C13H20BNO3
Molecular Weight:
249.1138
MDL Number:
MFCD16653226
IUPAC Name:
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO3/c1-15-8-3-2-6-12(15)10-18-13-7-4-5-11(9-13)14(16)17/h4-5,7,9,12,16-17H,2-3,6,8,10H2,1H3
InChI Key:
SJDWXMVQUMKPKV-UHFFFAOYSA-N
SMILES:
CN1CCCCC1COc1cccc(c1)B(O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.154g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.117g/mol
Monoisotopic Mass:
249.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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