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1313613-18-1 | Carbamic acid, N-[4-(3-oxo-4-morpholinyl)phenyl]-, phenylmethyl ester
CAS No: 1313613-18-1 Catalog No: AG000VZM MDL No:
Product Description
Catalog Number:
AG000VZM
Chemical Name:
Carbamic acid, N-[4-(3-oxo-4-morpholinyl)phenyl]-, phenylmethyl ester
CAS Number:
1313613-18-1
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
benzyl N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
InChI:
InChI=1S/C18H18N2O4/c21-17-13-23-11-10-20(17)16-8-6-15(7-9-16)19-18(22)24-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,22)
InChI Key:
GNEOLGPJVCVBRF-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)N1CCOCC1=O)OCc1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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