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Home > Boronic Acids > 290331-71-4
290331-71-4 | 1H-Indole-1-carboxylic acid, 2-borono-5-methoxy-, 1-(1,1-dimethylethyl) ester
CAS No: 290331-71-4 Catalog No: AG002V9R MDL No:MFCD04039006
Product Description
Catalog Number:
AG002V9R
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-5-methoxy-, 1-(1,1-dimethylethyl) ester
CAS Number:
290331-71-4
Molecular Formula:
C14H18BNO5
Molecular Weight:
291.1074
MDL Number:
MFCD04039006
IUPAC Name:
[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-11-6-5-10(20-4)7-9(11)8-12(16)15(18)19/h5-8,18-19H,1-4H3
InChI Key:
PZLVPMBCKHDVKT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(n2C(=O)OC(C)(C)C)B(O)O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.11g/mol
Monoisotopic Mass:
291.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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