Home Carboxys ethyl 5-formyl-2-methyl-1H-pyrrole-3-carboxylate

ethyl 5-formyl-2-methyl-1H-pyrrole-3-carboxylate

CAS No.:
57061-48-0
Catalog Number:
AG00ELDD
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG00ELDD
Chemical Name:
ethyl 5-formyl-2-methyl-1H-pyrrole-3-carboxylate
CAS Number:
57061-48-0
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD08696167
IUPAC Name:
ethyl 5-formyl-2-methyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-3-13-9(12)8-4-7(5-11)10-6(8)2/h4-5,10H,3H2,1-2H3
InChI Key:
WLSSHYJYPPPURQ-UHFFFAOYSA-N
SMILES:
Cc1c(cc([nH]1)C=O)C(=O)OCC
NSC Number:
81352
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties