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918826-40-1 | 2-Oxazolidinone, 3-[2-(1-cyclohexen-1-yl)ethyl]-5-(iodomethyl)-
CAS No: 918826-40-1 Catalog No: AG006B92 MDL No:
Product Description
Catalog Number:
AG006B92
Chemical Name:
2-Oxazolidinone, 3-[2-(1-cyclohexen-1-yl)ethyl]-5-(iodomethyl)-
CAS Number:
918826-40-1
Molecular Formula:
C12H18INO2
Molecular Weight:
335.1813
IUPAC Name:
3-[2-(cyclohexen-1-yl)ethyl]-5-(iodomethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H18INO2/c13-8-11-9-14(12(15)16-11)7-6-10-4-2-1-3-5-10/h4,11H,1-3,5-9H2
InChI Key:
PMBTWUBSNUJVMT-UHFFFAOYSA-N
SMILES:
ICC1OC(=O)N(C1)CCC1=CCCCC1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.185g/mol
Monoisotopic Mass:
335.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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