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113882-77-2 | 3-Buten-2-ol, 4-(diphenylphosphinyl)-2-methyl-, (3E)-
CAS No: 113882-77-2 Catalog No: AG0009ZS MDL No:
Product Description
Catalog Number:
AG0009ZS
Chemical Name:
3-Buten-2-ol, 4-(diphenylphosphinyl)-2-methyl-, (3E)-
CAS Number:
113882-77-2
Molecular Formula:
C17H19O2P
Molecular Weight:
286.3053
IUPAC Name:
4-diphenylphosphoryl-2-methylbut-3-en-2-ol
InChI:
InChI=1S/C17H19O2P/c1-17(2,18)13-14-20(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,18H,1-2H3
InChI Key:
VMSCJJMWYAXIKE-UHFFFAOYSA-N
SMILES:
CC(/C=C/P(=O)(c1ccccc1)c1ccccc1)(O)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.311g/mol
Monoisotopic Mass:
286.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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