Home Carboxys Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

CAS No.:
2386-26-7
Catalog Number:
AG003IT1
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
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Product Description
Catalog Number:
AG003IT1
Chemical Name:
Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Number:
2386-26-7
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD00022373
IUPAC Name:
ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C11H15NO3/c1-5-15-11(14)10-6(2)9(8(4)13)7(3)12-10/h12H,5H2,1-4H3
InChI Key:
ALRDOFWBPAZOCW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c(c1C)C(=O)C)C
UNII:
MVH7P0EOA6
NSC Number:
10765
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties