Home Carboxys 1-(3-methoxyphenyl)-1H-pyrazole-3-carboxylic acid

1-(3-methoxyphenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
1152536-76-9
Catalog Number:
AG01BOQG
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
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Product Description
Catalog Number:
AG01BOQG
Chemical Name:
1-(3-methoxyphenyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
1152536-76-9
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD11193624
IUPAC Name:
1-(3-methoxyphenyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O3/c1-16-9-4-2-3-8(7-9)13-6-5-10(12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
AMAOKRAYAGBQRE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)n1ccc(n1)C(=O)O
Properties
Complexity:
260  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties