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Home > Boronic Acids > 127972-00-3
127972-00-3 | Boronic acid, B-(2-methoxy-5-methylphenyl)-
CAS No: 127972-00-3 Catalog No: AG000XMV MDL No:MFCD02179465
Product Description
Catalog Number:
AG000XMV
Chemical Name:
Boronic acid, B-(2-methoxy-5-methylphenyl)-
CAS Number:
127972-00-3
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD02179465
IUPAC Name:
(2-methoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3
InChI Key:
CSVKZOZMPSRLTC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/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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