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Home > Boronic Acids > 1150114-42-3
1150114-42-3 | Boronic acid, B-[2-(1-methylethoxy)-3-pyridinyl]-
CAS No: 1150114-42-3 Catalog No: AG000FLL MDL No:MFCD11855840
Product Description
Catalog Number:
AG000FLL
Chemical Name:
Boronic acid, B-[2-(1-methylethoxy)-3-pyridinyl]-
CAS Number:
1150114-42-3
Molecular Formula:
C8H12BNO3
Molecular Weight:
180.9968
MDL Number:
MFCD11855840
IUPAC Name:
(2-propan-2-yloxypyridin-3-yl)boronic acid
InChI:
InChI=1S/C8H12BNO3/c1-6(2)13-8-7(9(11)12)4-3-5-10-8/h3-6,11-12H,1-2H3
InChI Key:
YUKJNDOHNQLKCG-UHFFFAOYSA-N
SMILES:
CC(Oc1ncccc1B(O)O)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.998g/mol
Monoisotopic Mass:
181.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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