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Home > Boronic Acids > 202390-71-4
202390-71-4 | Boronic acid, (2,4-dimethoxy-6-methylphenyl)- (9CI)
CAS No: 202390-71-4 Catalog No: AG00286L MDL No:MFCD11111406
Product Description
Catalog Number:
AG00286L
Chemical Name:
Boronic acid, (2,4-dimethoxy-6-methylphenyl)- (9CI)
CAS Number:
202390-71-4
Molecular Formula:
C9H13BO4
Molecular Weight:
196.0081
MDL Number:
MFCD11111406
IUPAC Name:
(2,4-dimethoxy-6-methylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO4/c1-6-4-7(13-2)5-8(14-3)9(6)10(11)12/h4-5,11-12H,1-3H3
InChI Key:
ZSGPNFZLMYSDAO-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1B(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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