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89735-33-1 | Acetic acid, phenoxy-, 2-naphthalenyl ester
CAS No: 89735-33-1 Catalog No: AG0041PN MDL No:
Product Description
Catalog Number:
AG0041PN
Chemical Name:
Acetic acid, phenoxy-, 2-naphthalenyl ester
CAS Number:
89735-33-1
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
naphthalen-2-yl 2-phenoxyacetate
InChI:
InChI=1S/C18H14O3/c19-18(13-20-16-8-2-1-3-9-16)21-17-11-10-14-6-4-5-7-15(14)12-17/h1-12H,13H2
InChI Key:
XKOQMASXMRQXHI-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc2c(c1)cccc2)COc1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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