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92613-35-9 | 2-Oxazolidinone, 5-(hydroxymethyl)-3-[4-(1-methylethyl)phenyl]-
CAS No: 92613-35-9 Catalog No: AG006G1Y MDL No:
Product Description
Catalog Number:
AG006G1Y
Chemical Name:
2-Oxazolidinone, 5-(hydroxymethyl)-3-[4-(1-methylethyl)phenyl]-
CAS Number:
92613-35-9
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
5-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H17NO3/c1-9(2)10-3-5-11(6-4-10)14-7-12(8-15)17-13(14)16/h3-6,9,12,15H,7-8H2,1-2H3
InChI Key:
SGFYGQKZADTNPG-UHFFFAOYSA-N
SMILES:
OCC1CN(C(=O)O1)c1ccc(cc1)C(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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