Home Other Building Blocks tert-butyl 2-(1-methyl-1H-pyrazol-4-yl)acetate

tert-butyl 2-(1-methyl-1H-pyrazol-4-yl)acetate

CAS No.:
1443980-81-1
Catalog Number:
AG01A5TJ
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
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Product Description
Catalog Number:
AG01A5TJ
Chemical Name:
tert-butyl 2-(1-methyl-1H-pyrazol-4-yl)acetate
CAS Number:
1443980-81-1
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD29047212
IUPAC Name:
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
InChI:
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)5-8-6-11-12(4)7-8/h6-7H,5H2,1-4H3
InChI Key:
CHYJXIWXRRCCAG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Cc1cnn(c1)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties