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1145-93-3 | Phosphonic acid, P-[(4-methoxyphenyl)methyl]-, diethyl ester
CAS No: 1145-93-3 Catalog No: AG000EKR MDL No:MFCD00015662
Product Description
Catalog Number:
AG000EKR
Chemical Name:
Phosphonic acid, P-[(4-methoxyphenyl)methyl]-, diethyl ester
CAS Number:
1145-93-3
Molecular Formula:
C12H19O4P
Molecular Weight:
258.2506
MDL Number:
MFCD00015662
IUPAC Name:
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
InChI:
InChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChI Key:
NKARVHNAACNYGE-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccc(cc1)OC)OCC
EC Number:
214-548-5
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.254g/mol
Monoisotopic Mass:
258.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| (1E,3E)-1,4-Bis(4-meth-oxy-phen-yl)buta-1,3-diene. | Acta crystallographica. Section E, Structure reports online 20101001 |
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