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Home > Boronic Acids > 870521-30-5
870521-30-5 | (6-Isopropoxypyridin-3-yl);boronic acid
CAS No: 870521-30-5 Catalog No: AG004JKZ MDL No:MFCD07368870
Product Description
Catalog Number:
AG004JKZ
Chemical Name:
(6-Isopropoxypyridin-3-yl);boronic acid
CAS Number:
870521-30-5
Molecular Formula:
C8H12BNO3
Molecular Weight:
180.9968
MDL Number:
MFCD07368870
IUPAC Name:
(6-propan-2-yloxypyridin-3-yl)boronic acid
InChI:
InChI=1S/C8H12BNO3/c1-6(2)13-8-4-3-7(5-10-8)9(11)12/h3-6,11-12H,1-2H3
InChI Key:
SGEOBUJTURUUJE-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cn1)B(O)O)C
EC Number:
617-948-1
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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