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111140-90-0 | Carbamic acid, (2,5-dioxo-4-imidazolidinyl)-, phenylmethyl ester
CAS No: 111140-90-0 Catalog No: AG007TPJ MDL No:
Product Description
Catalog Number:
AG007TPJ
Chemical Name:
Carbamic acid, (2,5-dioxo-4-imidazolidinyl)-, phenylmethyl ester
CAS Number:
111140-90-0
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
IUPAC Name:
benzyl N-(2,5-dioxoimidazolidin-4-yl)carbamate
InChI:
InChI=1S/C11H11N3O4/c15-9-8(12-10(16)14-9)13-11(17)18-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,17)(H2,12,14,15,16)
InChI Key:
ZBCOHYJNXCKJHP-UHFFFAOYSA-N
SMILES:
O=C(NC1NC(=O)NC1=O)OCc1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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