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Home > Boronic Acids > 1256355-42-6
1256355-42-6 | Benzoic acid, 2-borono-6-methyl-, 1-methyl ester
CAS No: 1256355-42-6 Catalog No: AG000O4G MDL No:MFCD08704674
Product Description
Catalog Number:
AG000O4G
Chemical Name:
Benzoic acid, 2-borono-6-methyl-, 1-methyl ester
CAS Number:
1256355-42-6
Molecular Formula:
C9H11BO4
Molecular Weight:
193.9922
MDL Number:
MFCD08704674
IUPAC Name:
(2-methoxycarbonyl-3-methylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4/c1-6-4-3-5-7(10(12)13)8(6)9(11)14-2/h3-5,12-13H,1-2H3
InChI Key:
UPTAZWVTOISYED-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cccc1B(O)O
Properties
Complexity:
207
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:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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