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Home > Boronic Acids > 815620-00-9
815620-00-9 | (4-Formyl-3-methoxyphenyl)boronic acid
CAS No: 815620-00-9 Catalog No: AG005JTV MDL No:MFCD10697427
Product Description
Catalog Number:
AG005JTV
Chemical Name:
(4-Formyl-3-methoxyphenyl)boronic acid
CAS Number:
815620-00-9
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD10697427
IUPAC Name:
(4-formyl-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H9BO4/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-5,11-12H,1H3
InChI Key:
LZVMUJGTTXMMTE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C=O)B(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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