Home Carboxys Ethyl 4-formyl-5-methyl-1H-pyrrole-2-carboxylate

Ethyl 4-formyl-5-methyl-1H-pyrrole-2-carboxylate

CAS No.:
25907-30-6
Catalog Number:
AG01F2L8
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$816
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Product Description
Catalog Number:
AG01F2L8
Chemical Name:
Ethyl 4-formyl-5-methyl-1H-pyrrole-2-carboxylate
CAS Number:
25907-30-6
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD01078052
IUPAC Name:
ethyl 4-formyl-5-methyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-3-13-9(12)8-4-7(5-11)6(2)10-8/h4-5,10H,3H2,1-2H3
InChI Key:
IREKIHPINCBPHF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(c([nH]1)C)C=O
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