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Home > Boronic Acids > 454185-96-7
454185-96-7 | (4-(2-Methoxy-2-oxoethyl);phenyl);boronic acid
CAS No: 454185-96-7 Catalog No: AG003K03 MDL No:MFCD09997796
Product Description
Catalog Number:
AG003K03
Chemical Name:
(4-(2-Methoxy-2-oxoethyl);phenyl);boronic acid
CAS Number:
454185-96-7
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD09997796
IUPAC Name:
[4-(2-methoxy-2-oxoethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BO4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5,12-13H,6H2,1H3
InChI Key:
CKXOGMXYISAZGN-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1)B(O)O
Properties
Complexity:
187
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:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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