Home Carboxys 3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate

3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate

CAS No.:
2818-06-6
Catalog Number:
AG01C18O
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG01C18O
Chemical Name:
3,4-dimethyl 1H-pyrrole-3,4-dicarboxylate
CAS Number:
2818-06-6
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD03931199
IUPAC Name:
dimethyl 1H-pyrrole-3,4-dicarboxylate
InChI:
InChI=1S/C8H9NO4/c1-12-7(10)5-3-9-4-6(5)8(11)13-2/h3-4,9H,1-2H3
InChI Key:
HEDIMOSXPHKSMJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]cc1C(=O)OC
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties