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Home > Boronic Acids > 1218790-85-2
1218790-85-2 | Boronic acid, B-(2-propoxy-3-pyridinyl)-
CAS No: 1218790-85-2 Catalog No: AG0016A8 MDL No:MFCD13195680
Product Description
Catalog Number:
AG0016A8
Chemical Name:
Boronic acid, B-(2-propoxy-3-pyridinyl)-
CAS Number:
1218790-85-2
Molecular Formula:
C8H12BNO3
Molecular Weight:
180.9968
MDL Number:
MFCD13195680
IUPAC Name:
(2-propoxypyridin-3-yl)boronic acid
InChI:
InChI=1S/C8H12BNO3/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h3-5,11-12H,2,6H2,1H3
InChI Key:
DDCHOASBQZMXFI-UHFFFAOYSA-N
SMILES:
CCCOc1ncccc1B(O)O
Properties
Complexity:
145
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:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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