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

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

CAS No.:
1269824-46-5
Catalog Number:
AG019ZT5
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
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Product Description
Catalog Number:
AG019ZT5
Chemical Name:
methyl 4-acetyl-5-amino-1H-pyrrole-2-carboxylate
CAS Number:
1269824-46-5
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD20727403
IUPAC Name:
methyl 4-acetyl-5-amino-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C8H10N2O3/c1-4(11)5-3-6(8(12)13-2)10-7(5)9/h3,10H,9H2,1-2H3
InChI Key:
GOYQEWBTMKRFJS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c([nH]1)N)C(=O)C
Properties
Complexity:
229  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties