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66450-47-3 | Carbamic acid, [4-(2,5-dioxo-4-imidazolidinyl)butyl]-, methyl ester
CAS No: 66450-47-3 Catalog No: AG006LJU MDL No:
Product Description
Catalog Number:
AG006LJU
Chemical Name:
Carbamic acid, [4-(2,5-dioxo-4-imidazolidinyl)butyl]-, methyl ester
CAS Number:
66450-47-3
Molecular Formula:
C9H15N3O4
Molecular Weight:
229.2331
IUPAC Name:
methyl N-[4-(2,5-dioxoimidazolidin-4-yl)butyl]carbamate
InChI:
InChI=1S/C9H15N3O4/c1-16-9(15)10-5-3-2-4-6-7(13)12-8(14)11-6/h6H,2-5H2,1H3,(H,10,15)(H2,11,12,13,14)
InChI Key:
MKIPNNCFWLXCQN-UHFFFAOYSA-N
SMILES:
COC(=O)NCCCCC1NC(=O)NC1=O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.236g/mol
Monoisotopic Mass:
229.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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