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20009-26-1 | Naphthalene, 1-propoxy-
CAS No: 20009-26-1 Catalog No: AG002CIO MDL No:
Product Description
Catalog Number:
AG002CIO
Chemical Name:
Naphthalene, 1-propoxy-
CAS Number:
20009-26-1
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
1-propoxynaphthalene
InChI:
InChI=1S/C13H14O/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
InChI Key:
JOGFTFKRKDIQEK-UHFFFAOYSA-N
SMILES:
CCCOc1cccc2c1cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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