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89402-06-2 | 2,4-Oxazolidinedione, 5-(4-methyl-3-cyclohexen-1-yl)-
CAS No: 89402-06-2 Catalog No: AG003WJB MDL No:
Product Description
Catalog Number:
AG003WJB
Chemical Name:
2,4-Oxazolidinedione, 5-(4-methyl-3-cyclohexen-1-yl)-
CAS Number:
89402-06-2
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
5-(4-methylcyclohex-3-en-1-yl)-1,3-oxazolidine-2,4-dione
InChI:
InChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8-9(12)11-10(13)14-8/h2,7-8H,3-5H2,1H3,(H,11,12,13)
InChI Key:
PIZFTHZSTFDGSE-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(O1)C1CCC(=CC1)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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