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89401-97-8 | 2,4-Oxazolidinedione, 5-(3-cyclohexen-1-yl)-
CAS No: 89401-97-8 Catalog No: AG004NE7 MDL No:
Product Description
Catalog Number:
AG004NE7
Chemical Name:
2,4-Oxazolidinedione, 5-(3-cyclohexen-1-yl)-
CAS Number:
89401-97-8
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
5-cyclohex-3-en-1-yl-1,3-oxazolidine-2,4-dione
InChI:
InChI=1S/C9H11NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-2,6-7H,3-5H2,(H,10,11,12)
InChI Key:
FRMKYZLURKSMNS-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(O1)C1CCC=CC1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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