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1246372-96-2 | Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 5-boryl-1,2-dihydro-2-oxo-, 1'-(1,1-dimethylethyl) ester
CAS No: 1246372-96-2 Catalog No: AG000MHO MDL No:MFCD12198584
Product Description
Catalog Number:
AG000MHO
Chemical Name:
Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 5-boryl-1,2-dihydro-2-oxo-, 1'-(1,1-dimethylethyl) ester
CAS Number:
1246372-96-2
Molecular Formula:
C17H23BN2O3
Molecular Weight:
314.1871
MDL Number:
MFCD12198584
IUPAC Name:
[1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-yl]boronic acid
InChI:
InChI=1S/C17H23BN2O5/c1-16(2,3)25-15(22)20-8-6-17(7-9-20)12-10-11(18(23)24)4-5-13(12)19-14(17)21/h4-5,10,23-24H,6-9H2,1-3H3,(H,19,21)
InChI Key:
DHVWETBOKPEXID-UHFFFAOYSA-N
SMILES:
Bc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)N2
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.17g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
346.19g/mol
Monoisotopic Mass:
346.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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