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114289-77-9 | Phenol, 2-(1,1-dimethylethyl)-4-(3-hydroxypropoxy)-
CAS No: 114289-77-9 Catalog No: AG000AZI MDL No:
Product Description
Catalog Number:
AG000AZI
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-4-(3-hydroxypropoxy)-
CAS Number:
114289-77-9
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
2-tert-butyl-4-(3-hydroxypropoxy)phenol
InChI:
InChI=1S/C13H20O3/c1-13(2,3)11-9-10(5-6-12(11)15)16-8-4-7-14/h5-6,9,14-15H,4,7-8H2,1-3H3
InChI Key:
NBOGODDTOPKOHH-UHFFFAOYSA-N
SMILES:
OCCCOc1ccc(c(c1)C(C)(C)C)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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