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13869-18-6 | Phosphonic acid, di-1-naphthalenyl ester
CAS No: 13869-18-6 Catalog No: AG00191C MDL No:
Product Description
Catalog Number:
AG00191C
Chemical Name:
Phosphonic acid, di-1-naphthalenyl ester
CAS Number:
13869-18-6
Molecular Formula:
C20H15O3P
Molecular Weight:
334.3051
IUPAC Name:
dinaphthalen-1-yloxy(oxo)phosphanium
InChI:
InChI=1S/C20H14O3P/c21-24(22-19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H/q+1
InChI Key:
KTCAGHOZOIVOQM-UHFFFAOYSA-N
SMILES:
O=P(Oc1cccc2c1cccc2)Oc1cccc2c1cccc2
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.068g/mol
Formal Charge:
1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.303g/mol
Monoisotopic Mass:
333.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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