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1557247-72-9 | 1H-Indazole-3-carboxylic acid, 4,5,6,7-tetrahydro-6,6-dimethyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-
CAS No: 1557247-72-9 Catalog No: AG001O59 MDL No:
Product Description
Catalog Number:
AG001O59
Chemical Name:
1H-Indazole-3-carboxylic acid, 4,5,6,7-tetrahydro-6,6-dimethyl-1-[[2-(trimethylsilyl)ethoxy]methyl]-
CAS Number:
1557247-72-9
Molecular Formula:
C16H28N2O3Si
Molecular Weight:
324.4906
IUPAC Name:
6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
InChI:
InChI=1S/C16H28N2O3Si/c1-16(2)7-6-12-13(10-16)18(17-14(12)15(19)20)11-21-8-9-22(3,4)5/h6-11H2,1-5H3,(H,19,20)
InChI Key:
VHODDVSQSBUIKH-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c2c1CCC(C2)(C)C)COCC[Si](C)(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.187g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.496g/mol
Monoisotopic Mass:
324.187g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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