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Home > Boronic Acids > 865540-70-1
865540-70-1 | 3,4-dimethoxy-2-methylphenylboronic acid
CAS No: 865540-70-1 Catalog No: AG00H3LB MDL No:MFCD27930506
Product Description
Catalog Number:
AG00H3LB
Chemical Name:
3,4-dimethoxy-2-methylphenylboronic acid
CAS Number:
865540-70-1
Molecular Formula:
C9H13BO4
Molecular Weight:
196.0081
MDL Number:
MFCD27930506
IUPAC Name:
(3,4-dimethoxy-2-methylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO4/c1-6-7(10(11)12)4-5-8(13-2)9(6)14-3/h4-5,11-12H,1-3H3
InChI Key:
YPMGZCRTNJLUCX-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1C)B(O)O
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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