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84145-71-1 | 1H-Pyrrole-2-aceticacid, 1,4-dimethyl-, methyl ester
CAS No: 84145-71-1 Catalog No: AG004PI4 MDL No:
Product Description
Catalog Number:
AG004PI4
Chemical Name:
1H-Pyrrole-2-aceticacid, 1,4-dimethyl-, methyl ester
CAS Number:
84145-71-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
methyl 2-(1,4-dimethylpyrrol-2-yl)acetate
InChI:
InChI=1S/C9H13NO2/c1-7-4-8(10(2)6-7)5-9(11)12-3/h4,6H,5H2,1-3H3
InChI Key:
AQMWRBXTZPSEQF-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc(cn1C)C
EC Number:
282-300-3
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:
0.9
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