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88698-98-0 | Phenol, 3-[3-(1,1-dimethylethyl)-5-oxazolidinyl]-
CAS No: 88698-98-0 Catalog No: AG0046H4 MDL No:
Product Description
Catalog Number:
AG0046H4
Chemical Name:
Phenol, 3-[3-(1,1-dimethylethyl)-5-oxazolidinyl]-
CAS Number:
88698-98-0
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
3-(3-tert-butyl-1,3-oxazolidin-5-yl)phenol
InChI:
InChI=1S/C13H19NO2/c1-13(2,3)14-8-12(16-9-14)10-5-4-6-11(15)7-10/h4-7,12,15H,8-9H2,1-3H3
InChI Key:
VZCVMXFATWZTSD-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C1OCN(C1)C(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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