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Home > Boronic Acids > 139962-95-1
139962-95-1 | Boronic acid, B-(2-formyl-4-methoxyphenyl)-
CAS No: 139962-95-1 Catalog No: AG001BVB MDL No:MFCD01319043
Product Description
Catalog Number:
AG001BVB
Chemical Name:
Boronic acid, B-(2-formyl-4-methoxyphenyl)-
CAS Number:
139962-95-1
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD01319043
IUPAC Name:
(2-formyl-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H9BO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5,11-12H,1H3
InChI Key:
ZSSNGMFKYFBOAG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)ccc1B(O)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.966g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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