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87951-16-4 | Phosphine, (2-methyl-1-oxo-2-butenyl)diphenyl-
CAS No: 87951-16-4 Catalog No: AG004GAF MDL No:
Product Description
Catalog Number:
AG004GAF
Chemical Name:
Phosphine, (2-methyl-1-oxo-2-butenyl)diphenyl-
CAS Number:
87951-16-4
Molecular Formula:
C17H17OP
Molecular Weight:
268.2900
IUPAC Name:
1-diphenylphosphanyl-2-methylbut-2-en-1-one
InChI:
InChI=1S/C17H17OP/c1-3-14(2)17(18)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-13H,1-2H3
InChI Key:
VKGGVTADLOTYOL-UHFFFAOYSA-N
SMILES:
CC=C(C(=O)P(c1ccccc1)c1ccccc1)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.296g/mol
Monoisotopic Mass:
268.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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