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786728-84-5 | 1-(2-CYCLOHEX-1-EN-1-YLETHYL)IMIDAZOLIDINE-2,4,5-TRIONE
CAS No: 786728-84-5 Catalog No: AG00G3U6 MDL No:MFCD06355937
Product Description
Catalog Number:
AG00G3U6
Chemical Name:
1-(2-CYCLOHEX-1-EN-1-YLETHYL)IMIDAZOLIDINE-2,4,5-TRIONE
CAS Number:
786728-84-5
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD06355937
IUPAC Name:
1-[2-(cyclohexen-1-yl)ethyl]imidazolidine-2,4,5-trione
InChI:
InChI=1S/C11H14N2O3/c14-9-10(15)13(11(16)12-9)7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H,12,14,16)
InChI Key:
NRUFLMQCHNBGDR-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=O)N1CCC1=CCCCC1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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