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66450-65-5 | Carbamic acid, [3-(2,5-dioxo-4-imidazolidinyl)propyl]-, methyl ester
CAS No: 66450-65-5 Catalog No: AG006LJT MDL No:
Product Description
Catalog Number:
AG006LJT
Chemical Name:
Carbamic acid, [3-(2,5-dioxo-4-imidazolidinyl)propyl]-, methyl ester
CAS Number:
66450-65-5
Molecular Formula:
C8H13N3O4
Molecular Weight:
215.2065
IUPAC Name:
methyl N-[3-(2,5-dioxoimidazolidin-4-yl)propyl]carbamate
InChI:
InChI=1S/C8H13N3O4/c1-15-8(14)9-4-2-3-5-6(12)11-7(13)10-5/h5H,2-4H2,1H3,(H,9,14)(H2,10,11,12,13)
InChI Key:
XEEWUNJALCJVRD-UHFFFAOYSA-N
SMILES:
COC(=O)NCCCC1NC(=O)NC1=O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.209g/mol
Monoisotopic Mass:
215.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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