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877204-00-7 | Morpholine, 4-[(2E,5S)-5-hydroxy-1-oxo-7-phenyl-2-heptenyl]-
CAS No: 877204-00-7 Catalog No: AG004GH5 MDL No:
Product Description
Catalog Number:
AG004GH5
Chemical Name:
Morpholine, 4-[(2E,5S)-5-hydroxy-1-oxo-7-phenyl-2-heptenyl]-
CAS Number:
877204-00-7
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
IUPAC Name:
(5S)-5-hydroxy-1-morpholin-4-yl-7-phenylhept-2-en-1-one
InChI:
InChI=1S/C17H23NO3/c19-16(10-9-15-5-2-1-3-6-15)7-4-8-17(20)18-11-13-21-14-12-18/h1-6,8,16,19H,7,9-14H2/t16-/m1/s1
InChI Key:
PYGSQPWGJWRGAE-MRXNPFEDSA-N
SMILES:
O[C@H](C/C=C/C(=O)N1CCOCC1)CCc1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
289.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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