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100568-28-3 | 1-Heptanone, 2-hydroxy-1-phenyl-
CAS No: 100568-28-3 Catalog No: AG0002D8 MDL No:
Product Description
Catalog Number:
AG0002D8
Chemical Name:
1-Heptanone, 2-hydroxy-1-phenyl-
CAS Number:
100568-28-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
2-hydroxy-1-phenylheptan-1-one
InChI:
InChI=1S/C13H18O2/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9,12,14H,2-3,5,10H2,1H3
InChI Key:
BRTHMFXKGHIZAM-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)c1ccccc1)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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