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78429-39-7 | Phosphonic acid, (4-methoxyphenyl)-, 2-(dimethylamino)ethyl4-methylphenyl ester
CAS No: 78429-39-7 Catalog No: AG0053J1 MDL No:
Product Description
Catalog Number:
AG0053J1
Chemical Name:
Phosphonic acid, (4-methoxyphenyl)-, 2-(dimethylamino)ethyl4-methylphenyl ester
CAS Number:
78429-39-7
Molecular Formula:
C18H23NO4P-
Molecular Weight:
348.3533
IUPAC Name:
[2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methoxyphenyl)phosphinate
InChI:
InChI=1S/C18H24NO4P/c1-14-5-10-18(15(13-14)11-12-19(2)3)23-24(20,21)17-8-6-16(22-4)7-9-17/h5-10,13H,11-12H2,1-4H3,(H,20,21)/p-1
InChI Key:
CXXKKHXPZRUTIV-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)P(=O)(Oc1ccc(cc1CCN(C)C)C)[O-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.136g/mol
Formal Charge:
-1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.359g/mol
Monoisotopic Mass:
348.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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