Home Other Building Blocks 2-(1-BENZYL-1H-PYRAZOL-4-YL)ACETIC ACID

2-(1-BENZYL-1H-PYRAZOL-4-YL)ACETIC ACID

CAS No.:
1781790-58-6
Catalog Number:
AG01DYWO
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG01DYWO
Chemical Name:
2-(1-BENZYL-1H-PYRAZOL-4-YL)ACETIC ACID
CAS Number:
1781790-58-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD28135421
IUPAC Name:
2-(1-benzylpyrazol-4-yl)acetic acid
InChI:
InChI=1S/C12H12N2O2/c15-12(16)6-11-7-13-14(9-11)8-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,15,16)
InChI Key:
PEADHPPLQIYZAF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cnn(c1)Cc1ccccc1
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:
1.3  
Properties