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1779128-22-1 | 3-Ethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CAS No: 1779128-22-1 Catalog No: AG01F941 MDL No:
Product Description
Catalog Number:
AG01F941
Chemical Name:
3-Ethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CAS Number:
1779128-22-1
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
3-ethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C9H9N3O2/c1-2-6-4-11-12-5-7(9(13)14)3-10-8(6)12/h3-5H,2H2,1H3,(H,13,14)
InChI Key:
ADVGFQZNAZFBPD-UHFFFAOYSA-N
SMILES:
CCc1cnn2c1ncc(c2)C(=O)O
Properties
Complexity:
234
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:
1
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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