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Home Carboxys 1-Propyl-1h-pyrazole-3-carboxylic acid

1-Propyl-1h-pyrazole-3-carboxylic acid

CAS No.:
957301-89-2
Catalog Number:
AG00JE66
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$563
- +
10g
95%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG00JE66
Chemical Name:
1-Propyl-1h-pyrazole-3-carboxylic acid
CAS Number:
957301-89-2
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD04970191
IUPAC Name:
1-propylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-2-4-9-5-3-6(8-9)7(10)11/h3,5H,2,4H2,1H3,(H,10,11)
InChI Key:
PAOWDTSRDBLTFW-UHFFFAOYSA-N
SMILES:
CCCn1ccc(n1)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:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties