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88017-76-9 | 1-Buten-1-ol, 1,3-bis(diphenylphosphinyl)-, (E)-
CAS No: 88017-76-9 Catalog No: AG004NP7 MDL No:
Product Description
Catalog Number:
AG004NP7
Chemical Name:
1-Buten-1-ol, 1,3-bis(diphenylphosphinyl)-, (E)-
CAS Number:
88017-76-9
Molecular Formula:
C28H26O3P2
Molecular Weight:
472.4518
IUPAC Name:
1,3-bis(diphenylphosphoryl)but-1-en-1-ol
InChI:
InChI=1S/C28H26O3P2/c1-23(32(30,24-14-6-2-7-15-24)25-16-8-3-9-17-25)22-28(29)33(31,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-23,29H,1H3
InChI Key:
FRKCISZOSUCVAT-UHFFFAOYSA-N
SMILES:
CC(P(=O)(c1ccccc1)c1ccccc1)/C=C(/P(=O)(c1ccccc1)c1ccccc1)\O
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.136g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
472.461g/mol
Monoisotopic Mass:
472.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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