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140172-68-5 | 2-Propen-1-ol, 3-(diphenylphosphinyl)-, acetate, (2E)- (9CI)
CAS No: 140172-68-5 Catalog No: AG001C4E MDL No:
Product Description
Catalog Number:
AG001C4E
Chemical Name:
2-Propen-1-ol, 3-(diphenylphosphinyl)-, acetate, (2E)- (9CI)
CAS Number:
140172-68-5
Molecular Formula:
C17H17O3P
Molecular Weight:
300.2888
IUPAC Name:
acetic acid;3-diphenylphosphorylprop-2-en-1-ol
InChI:
InChI=1S/C15H15O2P.C2H4O2/c16-12-7-13-18(17,14-8-3-1-4-9-14)15-10-5-2-6-11-15;1-2(3)4/h1-11,13,16H,12H2;1H3,(H,3,4)
InChI Key:
SDARNVCDGPGXDR-UHFFFAOYSA-N
SMILES:
CC(=O)OC/C=C/P(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.309g/mol
Monoisotopic Mass:
318.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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