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123601-44-5 | 1-Butanol, 4-(2-naphthalenyloxy)-
CAS No: 123601-44-5 Catalog No: AG000KTX MDL No:
Product Description
Catalog Number:
AG000KTX
Chemical Name:
1-Butanol, 4-(2-naphthalenyloxy)-
CAS Number:
123601-44-5
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
4-naphthalen-2-yloxybutan-1-ol
InChI:
InChI=1S/C14H16O2/c15-9-3-4-10-16-14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11,15H,3-4,9-10H2
InChI Key:
HWCZWXRASQQYML-UHFFFAOYSA-N
SMILES:
OCCCCOc1ccc2c(c1)cccc2
Properties
Complexity:
193
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:
1
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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