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Home > Boronic Acids > 1256355-55-1
1256355-55-1 | Acetic acid, 2-(3-boronophenoxy)-, 1-methyl ester
CAS No: 1256355-55-1 Catalog No: AG000O44 MDL No:MFCD11973991
Product Description
Catalog Number:
AG000O44
Chemical Name:
Acetic acid, 2-(3-boronophenoxy)-, 1-methyl ester
CAS Number:
1256355-55-1
Molecular Formula:
C9H11BO5
Molecular Weight:
209.9916
MDL Number:
MFCD11973991
IUPAC Name:
[3-(2-methoxy-2-oxoethoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H11BO5/c1-14-9(11)6-15-8-4-2-3-7(5-8)10(12)13/h2-5,12-13H,6H2,1H3
InChI Key:
VSRAAFKSKNZJMC-UHFFFAOYSA-N
SMILES:
COC(=O)COc1cccc(c1)B(O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.992g/mol
Monoisotopic Mass:
210.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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