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40611-85-6 | Ethyl 4-methyl-1H-pyrrole-2-carboxylate
CAS No: 40611-85-6 Catalog No: AG003QBD MDL No:MFCD00191668
Product Description
Catalog Number:
AG003QBD
Chemical Name:
Ethyl 4-methyl-1H-pyrrole-2-carboxylate
CAS Number:
40611-85-6
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD00191668
IUPAC Name:
ethyl 4-methyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)5-9-7/h4-5,9H,3H2,1-2H3
InChI Key:
RWFKYBVNHRKZSN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cc(c1)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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