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Home > Boronic Acids > 1215281-20-1
1215281-20-1 | Boronic acid, B-(5-acetyl-2-methoxyphenyl)-
CAS No: 1215281-20-1 Catalog No: AG00157Z MDL No:MFCD09839106
Product Description
Catalog Number:
AG00157Z
Chemical Name:
Boronic acid, B-(5-acetyl-2-methoxyphenyl)-
CAS Number:
1215281-20-1
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD09839106
IUPAC Name:
(5-acetyl-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-5,12-13H,1-2H3
InChI Key:
SNANZDYRDLEHPZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)C(=O)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.993g/mol
Monoisotopic Mass:
194.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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