Home Other Building Blocks 2-(1H-Pyrazol-1-yl)acetic acid

2-(1H-Pyrazol-1-yl)acetic acid

CAS No.:
16034-48-3
Catalog Number:
AG001RUU
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$88
- +
10g
98%
In Stock USA
United States
$169
- +
25g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG001RUU
Chemical Name:
2-(1H-Pyrazol-1-yl)acetic acid
CAS Number:
16034-48-3
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00228774
IUPAC Name:
2-pyrazol-1-ylacetic acid
InChI:
InChI=1S/C5H6N2O2/c8-5(9)4-7-3-1-2-6-7/h1-3H,4H2,(H,8,9)
InChI Key:
LOSKNFQZTWYZHI-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cccn1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties