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Home > Boronic Acids > 850568-08-0
850568-08-0 | 4-Ethoxy-3-methylphenylboronic acid
CAS No: 850568-08-0 Catalog No: AG004Z7U MDL No:MFCD06659870
Product Description
Catalog Number:
AG004Z7U
Chemical Name:
4-Ethoxy-3-methylphenylboronic acid
CAS Number:
850568-08-0
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD06659870
IUPAC Name:
(4-ethoxy-3-methylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-3-13-9-5-4-8(10(11)12)6-7(9)2/h4-6,11-12H,3H2,1-2H3
InChI Key:
GAFSYSHEDOIUSI-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C)B(O)O
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.01g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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