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Home > Boronic Acids > 246023-54-1
246023-54-1 | Boronic acid, B-(4-methoxy-2,5-dimethylphenyl)-
CAS No: 246023-54-1 Catalog No: AG002OQ9 MDL No:MFCD06801676
Product Description
Catalog Number:
AG002OQ9
Chemical Name:
Boronic acid, B-(4-methoxy-2,5-dimethylphenyl)-
CAS Number:
246023-54-1
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD06801676
IUPAC Name:
(4-methoxy-2,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-6-5-9(13-3)7(2)4-8(6)10(11)12/h4-5,11-12H,1-3H3
InChI Key:
IUUWNGBWUJVQCF-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1C)B(O)O
Properties
Complexity:
163
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:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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