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13699-67-7 | Phosphine oxide, triethenyl-
CAS No: 13699-67-7 Catalog No: AG0012NC MDL No:
Product Description
Catalog Number:
AG0012NC
Chemical Name:
Phosphine oxide, triethenyl-
CAS Number:
13699-67-7
Molecular Formula:
C6H9OP
Molecular Weight:
128.1088
IUPAC Name:
1-bis(ethenyl)phosphorylethene
InChI:
InChI=1S/C6H9OP/c1-4-8(7,5-2)6-3/h4-6H,1-3H2
InChI Key:
QRPTXORSJKSZSU-UHFFFAOYSA-N
SMILES:
C=CP(=O)(C=C)C=C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.039g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.111g/mol
Monoisotopic Mass:
128.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Trivinylphosphine and trivinylphosphine chalcogenides: stereochemical trends of ³¹P-¹H spin-spin coupling constants. | Magnetic resonance in chemistry : MRC 20101201 |
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