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13676-09-0 | Phosphonic acid, P-(ethoxyphenylmethyl)-, diethyl ester
CAS No: 13676-09-0 Catalog No: AG0012BN MDL No:
Product Description
Catalog Number:
AG0012BN
Chemical Name:
Phosphonic acid, P-(ethoxyphenylmethyl)-, diethyl ester
CAS Number:
13676-09-0
Molecular Formula:
C13H21O4P
Molecular Weight:
272.2772
IUPAC Name:
[diethoxyphosphoryl(ethoxy)methyl]benzene
InChI:
InChI=1S/C13H21O4P/c1-4-15-13(12-10-8-7-9-11-12)18(14,16-5-2)17-6-3/h7-11,13H,4-6H2,1-3H3
InChI Key:
HLYDPWKCSXLNEP-UHFFFAOYSA-N
SMILES:
CCOC(P(=O)(OCC)OCC)c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.281g/mol
Monoisotopic Mass:
272.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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