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116310-13-5 | 2,3-Naphthalenediol, 6-(1,1-dimethylethyl)-
CAS No: 116310-13-5 Catalog No: AG000C6B MDL No:
Product Description
Catalog Number:
AG000C6B
Chemical Name:
2,3-Naphthalenediol, 6-(1,1-dimethylethyl)-
CAS Number:
116310-13-5
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
6-tert-butylnaphthalene-2,3-diol
InChI:
InChI=1S/C14H16O2/c1-14(2,3)11-5-4-9-7-12(15)13(16)8-10(9)6-11/h4-8,15-16H,1-3H3
InChI Key:
AVTRGNGCJXHAAD-UHFFFAOYSA-N
SMILES:
Oc1cc2cc(ccc2cc1O)C(C)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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