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Home > Boronic Acids > 149507-37-9
149507-37-9 | Boronic acid, (4-methoxy-2,3-dimethylphenyl)- (9CI)
CAS No: 149507-37-9 Catalog No: AG001LS9 MDL No:MFCD17926494
Product Description
Catalog Number:
AG001LS9
Chemical Name:
Boronic acid, (4-methoxy-2,3-dimethylphenyl)- (9CI)
CAS Number:
149507-37-9
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD17926494
IUPAC Name:
(4-methoxy-2,3-dimethylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5,11-12H,1-3H3
InChI Key:
MJKKULUFDFFWEV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C)C)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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