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20009-25-0 | Naphthalene, 1-(2-propen-1-yloxy)-
CAS No: 20009-25-0 Catalog No: AG002CIP MDL No:MFCD04275566
Product Description
Catalog Number:
AG002CIP
Chemical Name:
Naphthalene, 1-(2-propen-1-yloxy)-
CAS Number:
20009-25-0
Molecular Formula:
C13H12O
Molecular Weight:
184.2338
MDL Number:
MFCD04275566
IUPAC Name:
1-prop-2-enoxynaphthalene
InChI:
InChI=1S/C13H12O/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2
InChI Key:
YNYMCUPQXZBCJN-UHFFFAOYSA-N
SMILES:
C=CCOc1cccc2c1cccc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.238g/mol
Monoisotopic Mass:
184.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Claisen rearrangements: insight into solvent effects and 'on water' reactivity from QM/MM simulations. | Journal of the American Chemical Society 20100217 |
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