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69687-80-5 | Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS No: 69687-80-5 Catalog No: AG003RLX MDL No:MFCD00203859
Product Description
Catalog Number:
AG003RLX
Chemical Name:
Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS Number:
69687-80-5
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD00203859
IUPAC Name:
methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C8H11NO2/c1-5-4-7(6(2)9-5)8(10)11-3/h4,9H,1-3H3
InChI Key:
OQWZEJIISPYZPW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([nH]c1C)C
Properties
Complexity:
158
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:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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