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1174157-65-3 | Propanoic acid, 3-(2-propyn-1-yloxy)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1174157-65-3 Catalog No: AG000E9H MDL No:MFCD13184973
Product Description
Catalog Number:
AG000E9H
Chemical Name:
Propanoic acid, 3-(2-propyn-1-yloxy)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1174157-65-3
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD13184973
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-prop-2-ynoxypropanoate
InChI:
InChI=1S/C10H11NO5/c1-2-6-15-7-5-10(14)16-11-8(12)3-4-9(11)13/h1H,3-7H2
InChI Key:
WKIKHHMUNOVQLD-UHFFFAOYSA-N
SMILES:
C#CCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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