Home Carboxys 5-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid

5-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid

CAS No.:
1175962-10-3
Catalog Number:
AG01BIY0
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
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Product Description
Catalog Number:
AG01BIY0
Chemical Name:
5-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1175962-10-3
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD09901139
IUPAC Name:
5-(3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C13H14N2O4/c1-15-10(7-9(14-15)13(16)17)8-4-5-11(18-2)12(6-8)19-3/h4-7H,1-3H3,(H,16,17)
InChI Key:
HUOZKQRMQCFGPJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1cc(nn1C)C(=O)O
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties