Home Carboxys methyl 5-formyl-1-methyl-1H-pyrrole-3-carboxylate

methyl 5-formyl-1-methyl-1H-pyrrole-3-carboxylate

CAS No.:
119580-82-4
Catalog Number:
AG01BKIH
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
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Product Description
Catalog Number:
AG01BKIH
Chemical Name:
methyl 5-formyl-1-methyl-1H-pyrrole-3-carboxylate
CAS Number:
119580-82-4
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD02179583
IUPAC Name:
methyl 5-formyl-1-methylpyrrole-3-carboxylate
InChI:
InChI=1S/C8H9NO3/c1-9-4-6(8(11)12-2)3-7(9)5-10/h3-5H,1-2H3
InChI Key:
KZWOJEVANUUKNM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn(c(c1)C=O)C
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties