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16563-45-4 | Butanoic acid, 4-(1-naphthalenyloxy)-
CAS No: 16563-45-4 Catalog No: AG001WA5 MDL No:MFCD02295742
Product Description
Catalog Number:
AG001WA5
Chemical Name:
Butanoic acid, 4-(1-naphthalenyloxy)-
CAS Number:
16563-45-4
Molecular Formula:
C14H14O3
Molecular Weight:
230.2592
MDL Number:
MFCD02295742
IUPAC Name:
4-naphthalen-1-yloxybutanoic acid
InChI:
InChI=1S/C14H14O3/c15-14(16)9-4-10-17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,15,16)
InChI Key:
VZLRADDUUOXYSL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOc1cccc2c1cccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.263g/mol
Monoisotopic Mass:
230.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| 1- and 2-substituted naphthalenes: a new class of potential hypotensive agents. | Bioorganic & medicinal chemistry letters 20040607 |
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