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Home > Boronic Acids > 380430-67-1
380430-67-1 | (2,3,6-TRIMETHOXY)BENZENEBORONIC ACID
CAS No: 380430-67-1 Catalog No: AG00BYQU MDL No:MFCD03411944
Product Description
Catalog Number:
AG00BYQU
Chemical Name:
(2,3,6-TRIMETHOXY)BENZENEBORONIC ACID
CAS Number:
380430-67-1
Molecular Formula:
C9H13BO5
Molecular Weight:
212.0075
MDL Number:
MFCD03411944
IUPAC Name:
(2,3,6-trimethoxyphenyl)boronic acid
InChI:
InChI=1S/C9H13BO5/c1-13-6-4-5-7(14-2)9(15-3)8(6)10(11)12/h4-5,11-12H,1-3H3
InChI Key:
PBJYOPCURLYSAG-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1B(O)O)OC)OC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.008g/mol
Monoisotopic Mass:
212.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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