Home Carboxys 1-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxylic acid

1-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1493829-57-4
Catalog Number:
AG01BVL4
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
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Product Description
Catalog Number:
AG01BVL4
Chemical Name:
1-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1493829-57-4
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
MDL Number:
MFCD20149290
IUPAC Name:
1-(2-methoxyethyl)-5-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C8H12N2O3/c1-6-7(8(11)12)5-9-10(6)3-4-13-2/h5H,3-4H2,1-2H3,(H,11,12)
InChI Key:
RLHIZNVZCXXIDG-UHFFFAOYSA-N
SMILES:
Cc1c(cnn1CCOC)C(=O)O
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties