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79039-08-0 | 2-Oxazolidinone,3-[4-(2-cyclohexylethynyl)phenyl]-5-(methoxymethyl)-
CAS No: 79039-08-0 Catalog No: AG008N5T MDL No:
Product Description
Catalog Number:
AG008N5T
Chemical Name:
2-Oxazolidinone,3-[4-(2-cyclohexylethynyl)phenyl]-5-(methoxymethyl)-
CAS Number:
79039-08-0
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
IUPAC Name:
3-[4-(2-cyclohexylethynyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C19H23NO3/c1-22-14-18-13-20(19(21)23-18)17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h9-12,15,18H,2-6,13-14H2,1H3
InChI Key:
RLASHAGLKSPKCV-UHFFFAOYSA-N
SMILES:
COCC1CN(C(=O)O1)c1ccc(cc1)C#CC1CCCCC1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.397g/mol
Monoisotopic Mass:
313.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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