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848478-61-5 | 1-Octanone, 3-hydroxy-1-(4-hydroxyphenyl)-
CAS No: 848478-61-5 Catalog No: AG004N3T MDL No:
Product Description
Catalog Number:
AG004N3T
Chemical Name:
1-Octanone, 3-hydroxy-1-(4-hydroxyphenyl)-
CAS Number:
848478-61-5
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
3-hydroxy-1-(4-hydroxyphenyl)octan-1-one
InChI:
InChI=1S/C14H20O3/c1-2-3-4-5-13(16)10-14(17)11-6-8-12(15)9-7-11/h6-9,13,15-16H,2-5,10H2,1H3
InChI Key:
AOVINOFKTJBJLM-UHFFFAOYSA-N
SMILES:
CCCCCC(CC(=O)c1ccc(cc1)O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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