Home Carboxys 1-(3-methoxypropyl)-1H-pyrazole-4-carboxylic acid

1-(3-methoxypropyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1184133-19-4
Catalog Number:
AG01BV8Z
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
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Product Description
Catalog Number:
AG01BV8Z
Chemical Name:
1-(3-methoxypropyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1184133-19-4
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
MDL Number:
MFCD12807128
IUPAC Name:
1-(3-methoxypropyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C8H12N2O3/c1-13-4-2-3-10-6-7(5-9-10)8(11)12/h5-6H,2-4H2,1H3,(H,11,12)
InChI Key:
IAJAJDJZGGZFFQ-UHFFFAOYSA-N
SMILES:
COCCCn1cc(cn1)C(=O)O
Properties
Complexity:
175  
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:
5  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties