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

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

CAS No.:
874196-94-8
Catalog Number:
AG01BH61
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
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Product Description
Catalog Number:
AG01BH61
Chemical Name:
1-(2-methoxyethyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
874196-94-8
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD09965733
IUPAC Name:
1-(2-methoxyethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H10N2O3/c1-12-3-2-9-5-6(4-8-9)7(10)11/h4-5H,2-3H2,1H3,(H,10,11)
InChI Key:
BMUGOSJLZCHJKW-UHFFFAOYSA-N
SMILES:
COCCn1cc(cn1)C(=O)O
Properties
Complexity:
163  
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:
4  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties