Home Carboxys 5-Ethoxy-1-methyl-1H-pyrazole-4-carboxylic acid

5-Ethoxy-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1365939-36-1
Catalog Number:
AG00HUN3
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
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Product Description
Catalog Number:
AG00HUN3
Chemical Name:
5-Ethoxy-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1365939-36-1
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD21647047
IUPAC Name:
5-ethoxy-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H10N2O3/c1-3-12-6-5(7(10)11)4-8-9(6)2/h4H,3H2,1-2H3,(H,10,11)
InChI Key:
WGTLSYLJSFTANC-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1OCC)C(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties