Home Carboxys 1H-Pyrazole-5-carboxylic acid, 1-propyl-

1H-Pyrazole-5-carboxylic acid, 1-propyl-

CAS No.:
1004643-68-8
Catalog Number:
AG00021X
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
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Product Description
Catalog Number:
AG00021X
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-propyl-
CAS Number:
1004643-68-8
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD04970195
IUPAC Name:
2-propylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-2-5-9-6(7(10)11)3-4-8-9/h3-4H,2,5H2,1H3,(H,10,11)
InChI Key:
WGJWTCXVNOHDSG-UHFFFAOYSA-N
SMILES:
CCCn1nccc1C(=O)O
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties