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Home > Boronic Acids > 1451391-98-2
1451391-98-2 | 3,5-DIMETHYL-2-METHOXYPHENYLBORONIC ACID
CAS No: 1451391-98-2 Catalog No: AG01E64L MDL No:
Product Description
Catalog Number:
AG01E64L
Chemical Name:
3,5-DIMETHYL-2-METHOXYPHENYLBORONIC ACID
CAS Number:
1451391-98-2
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
IUPAC Name:
(2-methoxy-3,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO3/c1-6-4-7(2)9(13-3)8(5-6)10(11)12/h4-5,11-12H,1-3H3
InChI Key:
UHTQRLCDAMYQFY-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1B(O)O)C
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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