Home Carboxys 1-(2-phenylethyl)-1H-pyrazole-3-carboxylic acid

1-(2-phenylethyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
1342765-18-7
Catalog Number:
AG01AN6S
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG01AN6S
Chemical Name:
1-(2-phenylethyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
1342765-18-7
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD20331012
IUPAC Name:
1-(2-phenylethyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c15-12(16)11-7-9-14(13-11)8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,15,16)
InChI Key:
IKXZQEQXYLLBPJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(n1)CCc1ccccc1
Properties
Complexity:
239  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties