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84691-35-0 | 2-Morpholinone, 4-benzoyl-6-methylene-
CAS No: 84691-35-0 Catalog No: AG004PO7 MDL No:
Product Description
Catalog Number:
AG004PO7
Chemical Name:
2-Morpholinone, 4-benzoyl-6-methylene-
CAS Number:
84691-35-0
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
4-benzoyl-6-methylidenemorpholin-2-one
InChI:
InChI=1S/C12H11NO3/c1-9-7-13(8-11(14)16-9)12(15)10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChI Key:
AJTSYAODKAIPMT-UHFFFAOYSA-N
SMILES:
C=C1OC(=O)CN(C1)C(=O)c1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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