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886215-87-8 | Acetic acid, [(3,4-dihydro-2-oxo-2H-pyrrol-5-yl)oxy]-, ethyl ester
CAS No: 886215-87-8 Catalog No: AG004A5R MDL No:
Product Description
Catalog Number:
AG004A5R
Chemical Name:
Acetic acid, [(3,4-dihydro-2-oxo-2H-pyrrol-5-yl)oxy]-, ethyl ester
CAS Number:
886215-87-8
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
IUPAC Name:
ethyl 2-[(5-oxo-3,4-dihydropyrrol-2-yl)oxy]acetate
InChI:
InChI=1S/C8H11NO4/c1-2-12-8(11)5-13-7-4-3-6(10)9-7/h2-5H2,1H3
InChI Key:
WVWVUHLUKFPZPD-UHFFFAOYSA-N
SMILES:
CCOC(=O)COC1=NC(=O)CC1
Properties
Complexity:
247
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:
0
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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