Home Carboxys ethyl 4-formyl-1-methyl-1H-pyrazole-3-carboxylate

ethyl 4-formyl-1-methyl-1H-pyrazole-3-carboxylate

CAS No.:
1594890-30-8
Catalog Number:
AG01ACTY
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
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Product Description
Catalog Number:
AG01ACTY
Chemical Name:
ethyl 4-formyl-1-methyl-1H-pyrazole-3-carboxylate
CAS Number:
1594890-30-8
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD26936128
IUPAC Name:
ethyl 4-formyl-1-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C8H10N2O3/c1-3-13-8(12)7-6(5-11)4-10(2)9-7/h4-5H,3H2,1-2H3
InChI Key:
OPBYCPSBPGSNCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(cc1C=O)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties