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Home > Boronic Acids > 1256355-40-4
1256355-40-4 | Benzoic acid, 2-borono-5-methoxy-, 1-methyl ester
CAS No: 1256355-40-4 Catalog No: AG000O4I MDL No:MFCD08704672
Product Description
Catalog Number:
AG000O4I
Chemical Name:
Benzoic acid, 2-borono-5-methoxy-, 1-methyl ester
CAS Number:
1256355-40-4
Molecular Formula:
C9H11BO5
Molecular Weight:
209.9916
MDL Number:
MFCD08704672
IUPAC Name:
(4-methoxy-2-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO5/c1-14-6-3-4-8(10(12)13)7(5-6)9(11)15-2/h3-5,12-13H,1-2H3
InChI Key:
QJEMXKRTNMWVHO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)OC)B(O)O
Properties
Complexity:
221
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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