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89625-13-8 | 1-Butanol, 3-(diphenylphosphinyl)-, benzoate
CAS No: 89625-13-8 Catalog No: AG003X03 MDL No:
Product Description
Catalog Number:
AG003X03
Chemical Name:
1-Butanol, 3-(diphenylphosphinyl)-, benzoate
CAS Number:
89625-13-8
Molecular Formula:
C23H25O4P
Molecular Weight:
396.4160
IUPAC Name:
benzoic acid;3-diphenylphosphorylbutan-1-ol
InChI:
InChI=1S/C16H19O2P.C7H6O2/c1-14(12-13-17)19(18,15-8-4-2-5-9-15)16-10-6-3-7-11-16;8-7(9)6-4-2-1-3-5-6/h2-11,14,17H,12-13H2,1H3;1-5H,(H,8,9)
InChI Key:
GIZLEYWMCCQJQI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.OCCC(P(=O)(c1ccccc1)c1ccccc1)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.149g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.423g/mol
Monoisotopic Mass:
396.149g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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