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Home > Boronic Acids > 1793003-61-8
1793003-61-8 | 2-Methyl-4-pentanoylphenylboronic acid
CAS No: 1793003-61-8 Catalog No: AG00HZXT MDL No:MFCD19237180
Product Description
Catalog Number:
AG00HZXT
Chemical Name:
2-Methyl-4-pentanoylphenylboronic acid
CAS Number:
1793003-61-8
Molecular Formula:
C12H17BO3
Molecular Weight:
220.0726
MDL Number:
MFCD19237180
IUPAC Name:
(2-methyl-4-pentanoylphenyl)boronic acid
InChI:
InChI=1S/C12H17BO3/c1-3-4-5-12(14)10-6-7-11(13(15)16)9(2)8-10/h6-8,15-16H,3-5H2,1-2H3
InChI Key:
WDIQDPYDEQZENV-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccc(c(c1)C)B(O)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.075g/mol
Monoisotopic Mass:
220.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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