Home Other Building Blocks 2-[1-(propan-2-yl)-1H-pyrazol-3-yl]acetic acid

2-[1-(propan-2-yl)-1H-pyrazol-3-yl]acetic acid

CAS No.:
1260658-97-6
Catalog Number:
AG01AJOA
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Product Description
Catalog Number:
AG01AJOA
Chemical Name:
2-[1-(propan-2-yl)-1H-pyrazol-3-yl]acetic acid
CAS Number:
1260658-97-6
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD18262425
IUPAC Name:
2-(1-propan-2-ylpyrazol-3-yl)acetic acid
InChI:
InChI=1S/C8H12N2O2/c1-6(2)10-4-3-7(9-10)5-8(11)12/h3-4,6H,5H2,1-2H3,(H,11,12)
InChI Key:
ZFOZATJOXAYSNN-UHFFFAOYSA-N
SMILES:
CC(n1ccc(n1)CC(=O)O)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties