Home Carboxys ethyl 1,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 1,5-dimethyl-1H-pyrrole-2-carboxylate

CAS No.:
37670-50-1
Catalog Number:
AG01A00D
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG01A00D
Chemical Name:
ethyl 1,5-dimethyl-1H-pyrrole-2-carboxylate
CAS Number:
37670-50-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD11557239
IUPAC Name:
ethyl 1,5-dimethylpyrrole-2-carboxylate
InChI:
InChI=1S/C9H13NO2/c1-4-12-9(11)8-6-5-7(2)10(8)3/h5-6H,4H2,1-3H3
InChI Key:
DOXGCQCHUPPQBH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(n1C)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties