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Home Other Building Blocks 3-(3,5-Dimethyl-1h-pyrazol-1-yl)propanoic acid

3-(3,5-Dimethyl-1h-pyrazol-1-yl)propanoic acid

CAS No.:
72145-01-8
Catalog Number:
AG0069TE
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG0069TE
Chemical Name:
3-(3,5-Dimethyl-1h-pyrazol-1-yl)propanoic acid
CAS Number:
72145-01-8
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD00749304
IUPAC Name:
3-(3,5-dimethylpyrazol-1-yl)propanoic acid
InChI:
InChI=1S/C8H12N2O2/c1-6-5-7(2)10(9-6)4-3-8(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChI Key:
PKTDVEIIOHCFMB-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1CCC(=O)O)C
Properties
Complexity:
172  
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:
0.5  
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