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116546-78-2 | 3-Pentanone, 2-methyl-1-(phenylmethoxy)-, (2S)-
CAS No: 116546-78-2 Catalog No: AG000CRR MDL No:
Product Description
Catalog Number:
AG000CRR
Chemical Name:
3-Pentanone, 2-methyl-1-(phenylmethoxy)-, (2S)-
CAS Number:
116546-78-2
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
(2S)-2-methyl-1-phenylmethoxypentan-3-one
InChI:
InChI=1S/C13H18O2/c1-3-13(14)11(2)9-15-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/t11-/m0/s1
InChI Key:
AFNDRZYNYFTKKW-NSHDSACASA-N
SMILES:
CCC(=O)[C@H](COCc1ccccc1)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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