sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1-Phenyl-5-propyl-1h-pyrazole-4-carboxylic acid

1-Phenyl-5-propyl-1h-pyrazole-4-carboxylic acid

CAS No.:
116344-17-3
Catalog Number:
AG000C9V
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$157
- +
Product Description
Catalog Number:
AG000C9V
Chemical Name:
1-Phenyl-5-propyl-1h-pyrazole-4-carboxylic acid
CAS Number:
116344-17-3
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD00068140
IUPAC Name:
1-phenyl-5-propylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C13H14N2O2/c1-2-6-12-11(13(16)17)9-14-15(12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,17)
InChI Key:
CBYITWPSSDTYTN-UHFFFAOYSA-N
SMILES:
CCCc1c(cnn1c1ccccc1)C(=O)O
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties