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87081-34-3 | 2-Oxazolidinone,5-(4-hydroxyphenyl)-4-methyl-3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-
CAS No: 87081-34-3 Catalog No: AG004J4I MDL No:
Product Description
Catalog Number:
AG004J4I
Chemical Name:
2-Oxazolidinone,5-(4-hydroxyphenyl)-4-methyl-3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-
CAS Number:
87081-34-3
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
IUPAC Name:
5-(4-hydroxyphenyl)-4-methyl-3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C20H21NO5/c1-13-18(14-7-9-15(22)10-8-14)24-19(23)21(13)12-11-20(2)25-16-5-3-4-6-17(16)26-20/h3-10,13,18,22H,11-12H2,1-2H3
InChI Key:
OMSWZNQWSWGCSB-UHFFFAOYSA-N
SMILES:
CC1N(CCC2(C)Oc3c(O2)cccc3)C(=O)OC1c1ccc(cc1)O
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.39g/mol
Monoisotopic Mass:
355.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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