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1707602-46-7 | 3-Methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CAS No: 1707602-46-7 Catalog No: AG01F8UP MDL No:
Product Description
Catalog Number:
AG01F8UP
Chemical Name:
3-Methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CAS Number:
1707602-46-7
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-5-2-10-11-4-6(8(12)13)3-9-7(5)11/h2-4H,1H3,(H,12,13)
InChI Key:
XUYALRLUDMXOOG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2n(c1)ncc2C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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