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83898-61-7 | 2-Naphthalenol,1,3-bis(1,1-dimethylethyl)-
CAS No: 83898-61-7 Catalog No: AG004V8S MDL No:
Product Description
Catalog Number:
AG004V8S
Chemical Name:
2-Naphthalenol,1,3-bis(1,1-dimethylethyl)-
CAS Number:
83898-61-7
Molecular Formula:
C18H24O
Molecular Weight:
256.3826
IUPAC Name:
1,3-ditert-butylnaphthalen-2-ol
InChI:
InChI=1S/C18H24O/c1-17(2,3)14-11-12-9-7-8-10-13(12)15(16(14)19)18(4,5)6/h7-11,19H,1-6H3
InChI Key:
QOXKLMBZSCTWLR-UHFFFAOYSA-N
SMILES:
Oc1c(c2ccccc2cc1C(C)(C)C)C(C)(C)C
EC Number:
281-273-5
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.389g/mol
Monoisotopic Mass:
256.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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