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Home > Indoles and Oxindole > 168827-96-1
168827-96-1 | Carbamic acid, N-[2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]ethyl]-, phenylmethyl ester
CAS No: 168827-96-1 Catalog No: AG001YBC MDL No:MFCD12911667
Product Description
Catalog Number:
AG001YBC
Chemical Name:
Carbamic acid, N-[2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]ethyl]-, phenylmethyl ester
CAS Number:
168827-96-1
Molecular Formula:
C18H16N2O5
Molecular Weight:
340.3300
MDL Number:
MFCD12911667
IUPAC Name:
benzyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]carbamate
InChI:
InChI=1S/C18H16N2O5/c21-16-14-8-4-5-9-15(14)17(22)20(16)25-11-10-19-18(23)24-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,23)
InChI Key:
GXENUDDTLQFBNG-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCCON1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.335g/mol
Monoisotopic Mass:
340.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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