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23598-52-9 | 2-Oxazolidinone, 3-(2-methylphenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS No: 23598-52-9 Catalog No: AG002NUK MDL No:
Product Description
Catalog Number:
AG002NUK
Chemical Name:
2-Oxazolidinone, 3-(2-methylphenyl)-5-[(2-propyn-1-yloxy)methyl]-
CAS Number:
23598-52-9
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
3-(2-methylphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H15NO3/c1-3-8-17-10-12-9-15(14(16)18-12)13-7-5-4-6-11(13)2/h1,4-7,12H,8-10H2,2H3
InChI Key:
MIEHHDXFEDRRRW-UHFFFAOYSA-N
SMILES:
C#CCOCC1OC(=O)N(C1)c1ccccc1C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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