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Home > Boronic Acids > 1028479-47-1
1028479-47-1 | (4-Formyl-2-methoxyphenyl);boronic acid
CAS No: 1028479-47-1 Catalog No: AG007YI6 MDL No:MFCD11856026
Product Description
Catalog Number:
AG007YI6
Chemical Name:
(4-Formyl-2-methoxyphenyl);boronic acid
CAS Number:
1028479-47-1
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD11856026
IUPAC Name:
(4-formyl-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H9BO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-5,11-12H,1H3
InChI Key:
PQECZCKVUFXDGP-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)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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