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Home > Boronic Acids > 1150114-37-6
1150114-37-6 | 1H-Indole-1,4-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 4-ethyl ester
CAS No: 1150114-37-6 Catalog No: AG000FLO MDL No:MFCD11855837
Product Description
Catalog Number:
AG000FLO
Chemical Name:
1H-Indole-1,4-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 4-ethyl ester
CAS Number:
1150114-37-6
Molecular Formula:
C16H20BNO6
Molecular Weight:
333.1441
MDL Number:
MFCD11855837
IUPAC Name:
[4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C16H20BNO6/c1-5-23-14(19)10-7-6-8-12-11(10)9-13(17(21)22)18(12)15(20)24-16(2,3)4/h6-9,21-22H,5H2,1-4H3
InChI Key:
CMIITQPDAMRGSX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1cc(n2C(=O)OC(C)(C)C)B(O)O
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.138g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.147g/mol
Monoisotopic Mass:
333.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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