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Home Carboxys 3-(4-Methoxyphenyl)-1h-pyrazole-4-carboxylic acid

3-(4-Methoxyphenyl)-1h-pyrazole-4-carboxylic acid

CAS No.:
618383-46-3
Catalog Number:
AG00EAU0
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 98% (HPLC)
1 week
United States
$111
- +
250mg
≥ 98% (HPLC)
1 week
United States
$184
- +
1g
≥ 98% (HPLC)
1 week
United States
$323
- +
5g
≥ 98% (HPLC)
1 week
United States
$1091
- +
Product Description
Catalog Number:
AG00EAU0
Chemical Name:
3-(4-Methoxyphenyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
618383-46-3
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD03834503
IUPAC Name:
5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChI Key:
YNHHGNUVCCLFDC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]ncc1C(=O)O
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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