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820969-53-7 | Phosphoric acid, (R)-cyano-1-naphthalenylmethyl diethyl ester
CAS No: 820969-53-7 Catalog No: AG004WYY MDL No:
Product Description
Catalog Number:
AG004WYY
Chemical Name:
Phosphoric acid, (R)-cyano-1-naphthalenylmethyl diethyl ester
CAS Number:
820969-53-7
Molecular Formula:
C16H18NO4P
Molecular Weight:
319.2922
IUPAC Name:
[(R)-cyano(naphthalen-1-yl)methyl] diethyl phosphate
InChI:
InChI=1S/C16H18NO4P/c1-3-19-22(18,20-4-2)21-16(12-17)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16H,3-4H2,1-2H3/t16-/m0/s1
InChI Key:
HNVFXQZYXVVVLH-INIZCTEOSA-N
SMILES:
CCOP(=O)(O[C@H](c1cccc2c1cccc2)C#N)OCC
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
319.097g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.297g/mol
Monoisotopic Mass:
319.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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