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2657-44-5 | 2-Naphthalenebutanol
CAS No: 2657-44-5 Catalog No: AG002TQM MDL No:
Product Description
Catalog Number:
AG002TQM
Chemical Name:
2-Naphthalenebutanol
CAS Number:
2657-44-5
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
4-naphthalen-2-ylbutan-1-ol
InChI:
InChI=1S/C14H16O/c15-10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h1-2,6-9,11,15H,3-5,10H2
InChI Key:
HCFPOCQNXGQTIC-UHFFFAOYSA-N
SMILES:
OCCCCc1ccc2c(c1)cccc2
NSC Number:
21045
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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