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Home > Boronic Acids > 1256345-70-6
1256345-70-6 | 2-Thiophenecarboxylic acid, 5-borono-3-methyl-, 2-methyl ester
CAS No: 1256345-70-6 Catalog No: AG000NZV MDL No:MFCD17015731
Product Description
Catalog Number:
AG000NZV
Chemical Name:
2-Thiophenecarboxylic acid, 5-borono-3-methyl-, 2-methyl ester
CAS Number:
1256345-70-6
Molecular Formula:
C7H9BO4S
Molecular Weight:
200.0200
MDL Number:
MFCD17015731
IUPAC Name:
(5-methoxycarbonyl-4-methylthiophen-2-yl)boronic acid
InChI:
InChI=1S/C7H9BO4S/c1-4-3-5(8(10)11)13-6(4)7(9)12-2/h3,10-11H,1-2H3
InChI Key:
NRPWDFPOXWSQEO-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1C)B(O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.015g/mol
Monoisotopic Mass:
200.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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