Home Carboxys 1H-Pyrazole-3-carboxylicacid,4,5-dihydro-,propylester(9CI)

1H-Pyrazole-3-carboxylicacid,4,5-dihydro-,propylester(9CI)

CAS No.:
105169-46-8
Catalog Number:
AG009PY5
Molecular Formula:
C7H12N2O2
Molecular Weight:
156.1824
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Product Description
Catalog Number:
AG009PY5
Chemical Name:
1H-Pyrazole-3-carboxylicacid,4,5-dihydro-,propylester(9CI)
CAS Number:
105169-46-8
Molecular Formula:
C7H12N2O2
Molecular Weight:
156.1824
MDL Number:
MFCD13175006
IUPAC Name:
propyl 4,5-dihydro-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C7H12N2O2/c1-2-5-11-7(10)6-3-4-8-9-6/h8H,2-5H2,1H3
InChI Key:
YWQUJLFJDKOKGC-UHFFFAOYSA-N
SMILES:
CCCOC(=O)C1=NNCC1
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.09g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.185g/mol
Monoisotopic Mass:
156.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties