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24602-47-9 | 1H-Pyrazole-4-carboxylic acid, 3-(trimethylsilyl)-, methyl ester
CAS No: 24602-47-9 Catalog No: AG002OQP MDL No:
Product Description
Catalog Number:
AG002OQP
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-(trimethylsilyl)-, methyl ester
CAS Number:
24602-47-9
Molecular Formula:
C8H14N2O2Si
Molecular Weight:
198.2945
IUPAC Name:
methyl 5-trimethylsilyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C8H14N2O2Si/c1-12-8(11)6-5-9-10-7(6)13(2,3)4/h5H,1-4H3,(H,9,10)
InChI Key:
GEVYOXSYZUOLNJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nc1[Si](C)(C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.082g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.297g/mol
Monoisotopic Mass:
198.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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