200,000+ products from a single source!
sales@angenechem.com
116344-17-3 | 1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-propyl-
CAS No: 116344-17-3 Catalog No: AG000C9V MDL No:MFCD00068140
Product Description
Catalog Number:
AG000C9V
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-propyl-
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.