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2942-54-3 | Phosphonic acid, P-(4-methylbenzoyl)-, diethyl ester
CAS No: 2942-54-3 Catalog No: AG002YCR MDL No:
Product Description
Catalog Number:
AG002YCR
Chemical Name:
Phosphonic acid, P-(4-methylbenzoyl)-, diethyl ester
CAS Number:
2942-54-3
Molecular Formula:
C12H17O4P
Molecular Weight:
256.2347
IUPAC Name:
diethoxyphosphoryl-(4-methylphenyl)methanone
InChI:
InChI=1S/C12H17O4P/c1-4-15-17(14,16-5-2)12(13)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChI Key:
GESNSNGXHITUQZ-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(=O)c1ccc(cc1)C)OCC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.238g/mol
Monoisotopic Mass:
256.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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