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142274-08-6 | 1H-Pyrrole-1-acetic acid, 4-ethoxy-2,5-dihydro-2-oxo-
CAS No: 142274-08-6 Catalog No: AG001I3N MDL No:MFCD00274525
Product Description
Catalog Number:
AG001I3N
Chemical Name:
1H-Pyrrole-1-acetic acid, 4-ethoxy-2,5-dihydro-2-oxo-
CAS Number:
142274-08-6
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
MDL Number:
MFCD00274525
IUPAC Name:
2-(3-ethoxy-5-oxo-2H-pyrrol-1-yl)acetic acid
InChI:
InChI=1S/C8H11NO4/c1-2-13-6-3-7(10)9(4-6)5-8(11)12/h3H,2,4-5H2,1H3,(H,11,12)
InChI Key:
KDSOKXOTPDAKNA-UHFFFAOYSA-N
SMILES:
CCOC1=CC(=O)N(C1)CC(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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