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89393-04-4 | 2-Hexanone, 1-hydroxy-1-phenyl-
CAS No: 89393-04-4 Catalog No: AG003WK1 MDL No:
Product Description
Catalog Number:
AG003WK1
Chemical Name:
2-Hexanone, 1-hydroxy-1-phenyl-
CAS Number:
89393-04-4
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
1-hydroxy-1-phenylhexan-2-one
InChI:
InChI=1S/C12H16O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,12,14H,2-3,9H2,1H3
InChI Key:
JQRKQXRFROSYBP-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C(c1ccccc1)O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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