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88017-75-8 | 1-Buten-1-ol, 1,3-bis(diphenylphosphinyl)-2-methyl-, (Z)-
CAS No: 88017-75-8 Catalog No: AG004NP8 MDL No:
Product Description
Catalog Number:
AG004NP8
Chemical Name:
1-Buten-1-ol, 1,3-bis(diphenylphosphinyl)-2-methyl-, (Z)-
CAS Number:
88017-75-8
Molecular Formula:
C29H28O3P2
Molecular Weight:
486.4783
IUPAC Name:
1,3-bis(diphenylphosphoryl)-2-methylbut-1-en-1-ol
InChI:
InChI=1S/C29H28O3P2/c1-23(24(2)33(31,25-15-7-3-8-16-25)26-17-9-4-10-18-26)29(30)34(32,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,24,30H,1-2H3
InChI Key:
XTNYGORTPYGRGL-UHFFFAOYSA-N
SMILES:
C/C(=C(/P(=O)(c1ccccc1)c1ccccc1)\O)/C(P(=O)(c1ccccc1)c1ccccc1)C
Properties
Complexity:
735
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.151g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
486.488g/mol
Monoisotopic Mass:
486.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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