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1173021-20-9 | 4-tert-Octylphenol-3,5-d2
CAS No: 1173021-20-9 Catalog No: AG000E2L MDL No:
Product Description
Catalog Number:
AG000E2L
Chemical Name:
4-tert-Octylphenol-3,5-d2
CAS Number:
1173021-20-9
Molecular Formula:
C14H20D2O
Molecular Weight:
208.3362
IUPAC Name:
3,5-dideuterio-4-(2,4,4-trimethylpentan-2-yl)phenol
InChI:
InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3/i6D,7D
InChI Key:
ISAVYTVYFVQUDY-QFIQSOQBSA-N
SMILES:
c1([2H])cc(O)cc(c1C(CC(C)(C)C)(C)C)[2H]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.18g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
2
Molecular Weight:
208.341g/mol
Monoisotopic Mass:
208.18g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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