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123271-34-1 | 2-Butanol, 1-(diphenylphosphinyl)-3,3-dimethyl-
CAS No: 123271-34-1 Catalog No: AG000K9K MDL No:
Product Description
Catalog Number:
AG000K9K
Chemical Name:
2-Butanol, 1-(diphenylphosphinyl)-3,3-dimethyl-
CAS Number:
123271-34-1
Molecular Formula:
C18H23O2P
Molecular Weight:
302.3478
IUPAC Name:
1-diphenylphosphoryl-3,3-dimethylbutan-2-ol
InChI:
InChI=1S/C18H23O2P/c1-18(2,3)17(19)14-21(20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,19H,14H2,1-3H3
InChI Key:
HXBJJEGZCHNKPP-UHFFFAOYSA-N
SMILES:
OC(C(C)(C)C)CP(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.144g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.354g/mol
Monoisotopic Mass:
302.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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