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1552-41-6 | Phosphonic acid, P-[(4-cyanophenyl)methyl]-, diethyl ester
CAS No: 1552-41-6 Catalog No: AG001NPX MDL No:MFCD08274488
Product Description
Catalog Number:
AG001NPX
Chemical Name:
Phosphonic acid, P-[(4-cyanophenyl)methyl]-, diethyl ester
CAS Number:
1552-41-6
Molecular Formula:
C12H16NO3P
Molecular Weight:
253.2341
MDL Number:
MFCD08274488
IUPAC Name:
4-(diethoxyphosphorylmethyl)benzonitrile
InChI:
InChI=1S/C12H16NO3P/c1-3-15-17(14,16-4-2)10-12-7-5-11(9-13)6-8-12/h5-8H,3-4,10H2,1-2H3
InChI Key:
MFXWOYIWKNJHPC-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccc(cc1)C#N)OCC
EC Number:
605-002-0
NSC Number:
48805
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.238g/mol
Monoisotopic Mass:
253.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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