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1394003-86-1 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 2-amino-
CAS No: 1394003-86-1 Catalog No: AG001AYD MDL No:MFCD22543886
Product Description
Catalog Number:
AG001AYD
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 2-amino-
CAS Number:
1394003-86-1
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD22543886
IUPAC Name:
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
InChI:
InChI=1S/C7H6N4O2/c8-5-4(7(12)13)6-9-2-1-3-11(6)10-5/h1-3H,(H2,8,10)(H,12,13)
InChI Key:
RGVPAUFBNKASEL-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)nn2c1nccc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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