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Home > Boronic Acids > 313545-31-2
313545-31-2 | 4-Ethoxy-2-methylphenylboronic acid
CAS No: 313545-31-2 Catalog No: AG007H9Q MDL No:MFCD04115659
Product Description
Catalog Number:
AG007H9Q
Chemical Name:
4-Ethoxy-2-methylphenylboronic acid
CAS Number:
313545-31-2
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD04115659
IUPAC Name:
(4-ethoxy-2-methylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6,11-12H,3H2,1-2H3
InChI Key:
MBEQXBKSJCOKJF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)C)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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