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127245-21-0 | 3-Isoxazolidinone, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-methyl-, (Z)- (9CI)
CAS No: 127245-21-0 Catalog No: AG000WSZ MDL No:
Product Description
Catalog Number:
AG000WSZ
Chemical Name:
3-Isoxazolidinone, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-methyl-, (Z)- (9CI)
CAS Number:
127245-21-0
Molecular Formula:
C19H27NO3
Molecular Weight:
317.4226
IUPAC Name:
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C19H27NO3/c1-18(2,3)14-9-12(8-13-11-23-20(7)17(13)22)10-15(16(14)21)19(4,5)6/h8-10,21H,11H2,1-7H3
InChI Key:
OTOTVZIIINPDEE-UHFFFAOYSA-N
SMILES:
O=C1N(C)OC/C/1=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.199g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.429g/mol
Monoisotopic Mass:
317.199g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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