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82875-55-6 | 1H-Pyrrole-2-acetic acid, 3-(ethoxycarbonyl)-1,4-dimethyl-
CAS No: 82875-55-6 Catalog No: AG0055KY MDL No:
Product Description
Catalog Number:
AG0055KY
Chemical Name:
1H-Pyrrole-2-acetic acid, 3-(ethoxycarbonyl)-1,4-dimethyl-
CAS Number:
82875-55-6
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
2-(3-ethoxycarbonyl-1,4-dimethylpyrrol-2-yl)acetic acid
InChI:
InChI=1S/C11H15NO4/c1-4-16-11(15)10-7(2)6-12(3)8(10)5-9(13)14/h6H,4-5H2,1-3H3,(H,13,14)
InChI Key:
MJVQXPUPLPINBR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)cn(c1CC(=O)O)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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