Home Carboxys methyl 4-acetyl-5-nitro-1H-pyrrole-2-carboxylate

methyl 4-acetyl-5-nitro-1H-pyrrole-2-carboxylate

CAS No.:
1269822-94-7
Catalog Number:
AG01BI0I
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
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Product Description
Catalog Number:
AG01BI0I
Chemical Name:
methyl 4-acetyl-5-nitro-1H-pyrrole-2-carboxylate
CAS Number:
1269822-94-7
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
MDL Number:
MFCD29071282
IUPAC Name:
methyl 4-acetyl-5-nitro-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C8H8N2O5/c1-4(11)5-3-6(8(12)15-2)9-7(5)10(13)14/h3,9H,1-2H3
InChI Key:
YZSBUCXXYJGFNU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c([nH]1)[N+](=O)[O-])C(=O)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties