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611239-23-7 | tert-butyl 1H-pyrazole-4-carboxylate
CAS No: 611239-23-7 Catalog No: AG003AGL MDL No:MFCD15976389
Product Description
Catalog Number:
AG003AGL
Chemical Name:
tert-butyl 1H-pyrazole-4-carboxylate
CAS Number:
611239-23-7
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD15976389
IUPAC Name:
tert-butyl 1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)6-4-9-10-5-6/h4-5H,1-3H3,(H,9,10)
InChI Key:
UAERPLOMIPPTSK-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]nc1)OC(C)(C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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