Home Carboxys 5-(1-phenylethyl)-1H-pyrazole-3-carboxylic acid

5-(1-phenylethyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
906318-58-9
Catalog Number:
AG01BV4P
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG01BV4P
Chemical Name:
5-(1-phenylethyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
906318-58-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD24498966
IUPAC Name:
5-(1-phenylethyl)-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-8(9-5-3-2-4-6-9)10-7-11(12(15)16)14-13-10/h2-8H,1H3,(H,13,14)(H,15,16)
InChI Key:
ZFQFUEWIACTWNQ-UHFFFAOYSA-N
SMILES:
CC(c1[nH]nc(c1)C(=O)O)c1ccccc1
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties