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3-(1-Methyl-1h-pyrrol-2-yl)-1h-pyrazole-5-carboxylic acid

CAS No.:
909858-38-4
Catalog Number:
AG00GSTF
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG00GSTF
Chemical Name:
3-(1-Methyl-1h-pyrrol-2-yl)-1h-pyrazole-5-carboxylic acid
CAS Number:
909858-38-4
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD06010512
IUPAC Name:
3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C9H9N3O2/c1-12-4-2-3-8(12)6-5-7(9(13)14)11-10-6/h2-5H,1H3,(H,10,11)(H,13,14)
InChI Key:
ABCWEWNWAYDITM-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]nc(c1)c1cccn1C
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:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
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
Properties