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25940-35-6 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CAS No: 25940-35-6 Catalog No: AG002R5L MDL No:MFCD01975194
Product Description
Catalog Number:
AG002R5L
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CAS Number:
25940-35-6
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD01975194
IUPAC Name:
pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
InChI:
InChI=1S/C7H5N3O2/c11-7(12)5-4-9-10-3-1-2-8-6(5)10/h1-4H,(H,11,12)
InChI Key:
HNYVPKNVKSTVJO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn2c1nccc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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