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2001080-85-7 | Boronic acid, B-(4-formyl-3,5-dimethoxyphenyl)-
CAS No: 2001080-85-7 Catalog No: AG002CIY MDL No:MFCD22383667
Product Description
Catalog Number:
AG002CIY
Chemical Name:
Boronic acid, B-(4-formyl-3,5-dimethoxyphenyl)-
CAS Number:
2001080-85-7
Molecular Formula:
C9H11BO5
Molecular Weight:
209.9916
MDL Number:
MFCD22383667
IUPAC Name:
(4-formyl-3,5-dimethoxyphenyl)boronic acid
InChI:
InChI=1S/C9H11BO5/c1-14-8-3-6(10(12)13)4-9(15-2)7(8)5-11/h3-5,12-13H,1-2H3
InChI Key:
AMCMBLFQAZPIPI-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1C=O)OC)B(O)O
Properties
Complexity:
197
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:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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