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89841-27-0 | 1-Butanol, 2-(diphenylphosphinyl)-3-methyl-, acetate
CAS No: 89841-27-0 Catalog No: AG003WVT MDL No:
Product Description
Catalog Number:
AG003WVT
Chemical Name:
1-Butanol, 2-(diphenylphosphinyl)-3-methyl-, acetate
CAS Number:
89841-27-0
Molecular Formula:
C19H25O4P
Molecular Weight:
348.3732
IUPAC Name:
acetic acid;2-diphenylphosphoryl-3-methylbutan-1-ol
InChI:
InChI=1S/C17H21O2P.C2H4O2/c1-14(2)17(13-18)20(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-2(3)4/h3-12,14,17-18H,13H2,1-2H3;1H3,(H,3,4)
InChI Key:
SZXAETUYFONWOL-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCC(P(=O)(c1ccccc1)c1ccccc1)C(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.149g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.379g/mol
Monoisotopic Mass:
348.149g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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