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1021-45-0 | Phosphoric acid, diethyl 1-phenylethenyl ester
CAS No: 1021-45-0 Catalog No: AG0006MK MDL No:
Product Description
Catalog Number:
AG0006MK
Chemical Name:
Phosphoric acid, diethyl 1-phenylethenyl ester
CAS Number:
1021-45-0
Molecular Formula:
C12H17O4P
Molecular Weight:
256.2347
IUPAC Name:
diethyl 1-phenylethenyl phosphate
InChI:
InChI=1S/C12H17O4P/c1-4-14-17(13,15-5-2)16-11(3)12-9-7-6-8-10-12/h6-10H,3-5H2,1-2H3
InChI Key:
TYPMOBYJZAEEDU-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OC(=C)c1ccccc1)OCC
Properties
Complexity:
274
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:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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