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Home > Boronic Acids > 540495-55-4
540495-55-4 | 2-Methyl-4-propanoylphenylboronic acid
CAS No: 540495-55-4 Catalog No: AG00DKGB MDL No:MFCD20491428
Product Description
Catalog Number:
AG00DKGB
Chemical Name:
2-Methyl-4-propanoylphenylboronic acid
CAS Number:
540495-55-4
Molecular Formula:
C10H13BO3
Molecular Weight:
192.0194
MDL Number:
MFCD20491428
IUPAC Name:
(2-methyl-4-propanoylphenyl)boronic acid
InChI:
InChI=1S/C10H13BO3/c1-3-10(12)8-4-5-9(11(13)14)7(2)6-8/h4-6,13-14H,3H2,1-2H3
InChI Key:
DFWKPMGDIPNUDC-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c(c1)C)B(O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.021g/mol
Monoisotopic Mass:
192.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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