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Home > Boronic Acids > 643094-11-5
643094-11-5 | 3-(2-Methoxy-2-oxoethyl)phenylboronic acid
CAS No: 643094-11-5 Catalog No: AG00ECOH MDL No:MFCD03425946
Product Description
Catalog Number:
AG00ECOH
Chemical Name:
3-(2-Methoxy-2-oxoethyl)phenylboronic acid
CAS Number:
643094-11-5
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD03425946
IUPAC Name:
[3-(2-methoxy-2-oxoethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BO4/c1-14-9(11)6-7-3-2-4-8(5-7)10(12)13/h2-5,12-13H,6H2,1H3
InChI Key:
PBNUXNCUNUMZFL-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc(c1)B(O)O
Properties
Complexity:
195
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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