Home Carboxys 1-propyl-1H-pyrazole-4-carboxylic acid

1-propyl-1H-pyrazole-4-carboxylic acid

CAS No.:
849612-71-1
Catalog Number:
AG00JEQ0
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
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Product Description
Catalog Number:
AG00JEQ0
Chemical Name:
1-propyl-1H-pyrazole-4-carboxylic acid
CAS Number:
849612-71-1
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD20444444
IUPAC Name:
1-propylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-2-3-9-5-6(4-8-9)7(10)11/h4-5H,2-3H2,1H3,(H,10,11)
InChI Key:
VLQMAVVBCYNBQC-UHFFFAOYSA-N
SMILES:
CCCn1cc(cn1)C(=O)O
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
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