Home Carboxys methyl 1,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 1,4-dimethyl-1H-pyrrole-3-carboxylate

CAS No.:
1810712-27-6
Catalog Number:
AG01EILC
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG01EILC
Chemical Name:
methyl 1,4-dimethyl-1H-pyrrole-3-carboxylate
CAS Number:
1810712-27-6
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD31381021
IUPAC Name:
methyl 1,4-dimethylpyrrole-3-carboxylate
InChI:
InChI=1S/C8H11NO2/c1-6-4-9(2)5-7(6)8(10)11-3/h4-5H,1-3H3
InChI Key:
TUMYWMIKKQMMSS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn(cc1C)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties