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115932-00-8 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, ethyl ester
CAS No: 115932-00-8 Catalog No: AG000H57 MDL No:MFCD00847745
Product Description
Catalog Number:
AG000H57
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, ethyl ester
CAS Number:
115932-00-8
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD00847745
IUPAC Name:
ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-11-12-5-3-4-10-8(7)12/h3-6H,2H2,1H3
InChI Key:
JEMAMNBFHPIPCR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn2c1nccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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