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Home > Boronic Acids > 396102-17-3
396102-17-3 | (2,3-dimethoxy-5-methylphenyl)boronic acid
CAS No: 396102-17-3 Catalog No: AG00C8R9 MDL No:MFCD12827469
Product Description
Catalog Number:
AG00C8R9
Chemical Name:
(2,3-dimethoxy-5-methylphenyl)boronic acid
CAS Number:
396102-17-3
Molecular Formula:
C9H13BO4
Molecular Weight:
196.0081
MDL Number:
MFCD12827469
IUPAC Name:
(2,3-dimethoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO4/c1-6-4-7(10(11)12)9(14-3)8(5-6)13-2/h4-5,11-12H,1-3H3
InChI Key:
MKFLYXCXQHLTTK-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1B(O)O)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.009g/mol
Monoisotopic Mass:
196.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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