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1076199-70-6 | 3-(TERT-BUTYL)-5-[7-(1-HYDROXYETHYL)-2-BENZOFURANYL]-2-OXAZOLIDINONE
CAS No: 1076199-70-6 Catalog No: AG0084KR MDL No:
Product Description
Catalog Number:
AG0084KR
Chemical Name:
3-(TERT-BUTYL)-5-[7-(1-HYDROXYETHYL)-2-BENZOFURANYL]-2-OXAZOLIDINONE
CAS Number:
1076199-70-6
Molecular Formula:
C17H21NO4
Molecular Weight:
303.3529
IUPAC Name:
3-tert-butyl-5-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C17H21NO4/c1-10(19)12-7-5-6-11-8-13(21-15(11)12)14-9-18(16(20)22-14)17(2,3)4/h5-8,10,14,19H,9H2,1-4H3
InChI Key:
NSCGUYORSXNXSZ-UHFFFAOYSA-N
SMILES:
O=C1OC(CN1C(C)(C)C)c1cc2c(o1)c(ccc2)C(O)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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