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23598-57-4 | 2-Oxazolidinone, 3-[2-methyl-5-(1-methylethyl)phenyl]-5-[(2-propyn-1-yloxy)methyl]-
CAS No: 23598-57-4 Catalog No: AG002NUH MDL No:
Product Description
Catalog Number:
AG002NUH
Chemical Name:
2-Oxazolidinone, 3-[2-methyl-5-(1-methylethyl)phenyl]-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23598-57-4
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
IUPAC Name:
3-(2-methyl-5-propan-2-ylphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C17H21NO3/c1-5-8-20-11-15-10-18(17(19)21-15)16-9-14(12(2)3)7-6-13(16)4/h1,6-7,9,12,15H,8,10-11H2,2-4H3
InChI Key:
PAXKIIHKJHZCSR-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)N1CC(OC1=O)COCC#C)C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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