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164527-46-2 | Phosphoric acid, diethyl (2E)-3-(1-naphthalenyl)-2-propen-1-yl ester
CAS No: 164527-46-2 Catalog No: AG001UXP MDL No:
Product Description
Catalog Number:
AG001UXP
Chemical Name:
Phosphoric acid, diethyl (2E)-3-(1-naphthalenyl)-2-propen-1-yl ester
CAS Number:
164527-46-2
Molecular Formula:
C17H21O4P
Molecular Weight:
320.3200
IUPAC Name:
diethyl 3-naphthalen-1-ylprop-2-enyl phosphate
InChI:
InChI=1S/C17H21O4P/c1-3-19-22(18,20-4-2)21-14-8-12-16-11-7-10-15-9-5-6-13-17(15)16/h5-13H,3-4,14H2,1-2H3
InChI Key:
KFHUXOJJWCAIKT-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OC/C=C/c1cccc2c1cccc2)OCC
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.118g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.325g/mol
Monoisotopic Mass:
320.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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