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869941-96-8 | 6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CAS No: 869941-96-8 Catalog No: AG004NWK MDL No:MFCD05861682
Product Description
Catalog Number:
AG004NWK
Chemical Name:
6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CAS Number:
869941-96-8
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD05861682
IUPAC Name:
6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-5-2-9-7-6(8(12)13)3-10-11(7)4-5/h2-4H,1H3,(H,12,13)
InChI Key:
JCNOXGKQXXFWCM-UHFFFAOYSA-N
SMILES:
Cc1cnc2n(c1)ncc2C(=O)O
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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