Home Carboxys 1-methyl-3-(oxolan-2-yl)-1H-pyrazole-4-carboxylic acid

1-methyl-3-(oxolan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1872538-65-2
Catalog Number:
AG01BWD7
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
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Product Description
Catalog Number:
AG01BWD7
Chemical Name:
1-methyl-3-(oxolan-2-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1872538-65-2
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD30477002
IUPAC Name:
1-methyl-3-(oxolan-2-yl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C9H12N2O3/c1-11-5-6(9(12)13)8(10-11)7-3-2-4-14-7/h5,7H,2-4H2,1H3,(H,12,13)
InChI Key:
WWMCAIVMFZPBPP-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C1CCCO1)C(=O)O
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties