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89055-20-9 | Butanoic acid, 3-oxo-, 2-[[2-(4-morpholinyl)ethyl]thio]ethyl ester
CAS No: 89055-20-9 Catalog No: AG0041DH MDL No:
Product Description
Catalog Number:
AG0041DH
Chemical Name:
Butanoic acid, 3-oxo-, 2-[[2-(4-morpholinyl)ethyl]thio]ethyl ester
CAS Number:
89055-20-9
Molecular Formula:
C12H21NO4S
Molecular Weight:
275.3644
IUPAC Name:
2-(2-morpholin-4-ylethylsulfanyl)ethyl 3-oxobutanoate
InChI:
InChI=1S/C12H21NO4S/c1-11(14)10-12(15)17-7-9-18-8-4-13-2-5-16-6-3-13/h2-10H2,1H3
InChI Key:
LYKHSJRYQHGCKW-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)OCCSCCN1CCOCC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.363g/mol
Monoisotopic Mass:
275.119g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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