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81733-92-8 | 3-Hydroxy-2-methyl-1-phenylhexan-1-one
CAS No: 81733-92-8 Catalog No: AG0057R7 MDL No:
Product Description
Catalog Number:
AG0057R7
Chemical Name:
3-Hydroxy-2-methyl-1-phenylhexan-1-one
CAS Number:
81733-92-8
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
3-hydroxy-2-methyl-1-phenylhexan-1-one
InChI:
InChI=1S/C13H18O2/c1-3-7-12(14)10(2)13(15)11-8-5-4-6-9-11/h4-6,8-10,12,14H,3,7H2,1-2H3
InChI Key:
YTMHKYDVBYQMHR-UHFFFAOYSA-N
SMILES:
CCCC(C(C(=O)c1ccccc1)C)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:
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:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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