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89625-12-7 | 1-Butanol, 3-(diphenylphosphinyl)-
CAS No: 89625-12-7 Catalog No: AG003X04 MDL No:
Product Description
Catalog Number:
AG003X04
Chemical Name:
1-Butanol, 3-(diphenylphosphinyl)-
CAS Number:
89625-12-7
Molecular Formula:
C16H19O2P
Molecular Weight:
274.2946
IUPAC Name:
3-diphenylphosphorylbutan-1-ol
InChI:
InChI=1S/C16H19O2P/c1-14(12-13-17)19(18,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3
InChI Key:
AQHAHANFGCEDDW-UHFFFAOYSA-N
SMILES:
OCCC(P(=O)(c1ccccc1)c1ccccc1)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.3g/mol
Monoisotopic Mass:
274.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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