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100944-55-6 | Acetic acid, 2-[2-oxo-5-(phenylmethyl)-3-morpholinylidene]-, methyl ester
CAS No: 100944-55-6 Catalog No: AG0003A7 MDL No:MFCD02082368
Product Description
Catalog Number:
AG0003A7
Chemical Name:
Acetic acid, 2-[2-oxo-5-(phenylmethyl)-3-morpholinylidene]-, methyl ester
CAS Number:
100944-55-6
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD02082368
IUPAC Name:
methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate
InChI:
InChI=1S/C14H15NO4/c1-18-13(16)8-12-14(17)19-9-11(15-12)7-10-5-3-2-4-6-10/h2-6,8,11,15H,7,9H2,1H3
InChI Key:
WUIPHQPYGMFCRH-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1NC(COC1=O)Cc1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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