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87929-16-6 | 1-Octanone, 3-hydroxy-1-phenyl-
CAS No: 87929-16-6 Catalog No: AG004DNQ MDL No:
Product Description
Catalog Number:
AG004DNQ
Chemical Name:
1-Octanone, 3-hydroxy-1-phenyl-
CAS Number:
87929-16-6
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
3-hydroxy-1-phenyloctan-1-one
InChI:
InChI=1S/C14H20O2/c1-2-3-5-10-13(15)11-14(16)12-8-6-4-7-9-12/h4,6-9,13,15H,2-3,5,10-11H2,1H3
InChI Key:
XFLJSZQVSQSAJE-UHFFFAOYSA-N
SMILES:
CCCCCC(CC(=O)c1ccccc1)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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