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144424-76-0 | 2-Oxazolidinone, 3-[(4-methoxy-6-methyl-3-cyclohexen-1-yl)carbonyl]-4-(phenylmethyl)-, [1S-[1α(R*),6β]]- (9CI)
CAS No: 144424-76-0 Catalog No: AG001JHL MDL No:
Product Description
Catalog Number:
AG001JHL
Chemical Name:
2-Oxazolidinone, 3-[(4-methoxy-6-methyl-3-cyclohexen-1-yl)carbonyl]-4-(phenylmethyl)-, [1S-[1α(R*),6β]]- (9CI)
CAS Number:
144424-76-0
Molecular Formula:
C19H23NO4
Molecular Weight:
329.3902
IUPAC Name:
4-benzyl-3-(4-methoxy-6-methylcyclohex-3-ene-1-carbonyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C19H23NO4/c1-13-10-16(23-2)8-9-17(13)18(21)20-15(12-24-19(20)22)11-14-6-4-3-5-7-14/h3-8,13,15,17H,9-12H2,1-2H3
InChI Key:
LGATTXCNGCTFBM-UHFFFAOYSA-N
SMILES:
COC1=CCC(C(C1)C)C(=O)N1C(=O)OCC1Cc1ccccc1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.396g/mol
Monoisotopic Mass:
329.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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