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Home > Boronic Acids > 99769-19-4
99769-19-4 | 3-(Methoxycarbonyl)phenylboronic acid
CAS No: 99769-19-4 Catalog No: AG003JNK MDL No:MFCD02093046
Product Description
Catalog Number:
AG003JNK
Chemical Name:
3-(Methoxycarbonyl)phenylboronic acid
CAS Number:
99769-19-4
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD02093046
IUPAC Name:
(3-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H9BO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5,11-12H,1H3
InChI Key:
ALTLCJHSJMGSLT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
183
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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