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113719-45-2 | 1-Cyclopentene-1-acetic acid, 3-(4-morpholinyl)-5-oxo-, methyl ester
CAS No: 113719-45-2 Catalog No: AG0009GI MDL No:
Product Description
Catalog Number:
AG0009GI
Chemical Name:
1-Cyclopentene-1-acetic acid, 3-(4-morpholinyl)-5-oxo-, methyl ester
CAS Number:
113719-45-2
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
IUPAC Name:
methyl 2-(3-morpholin-4-yl-5-oxocyclopenten-1-yl)acetate
InChI:
InChI=1S/C12H17NO4/c1-16-12(15)7-9-6-10(8-11(9)14)13-2-4-17-5-3-13/h6,10H,2-5,7-8H2,1H3
InChI Key:
PMYPMSLJDZUKEU-UHFFFAOYSA-N
SMILES:
COC(=O)CC1=CC(CC1=O)N1CCOCC1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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