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182193-69-7 | 3-Pentanone, 1-[(4-methoxyphenyl)methoxy]-2-methyl-, (2S)-
CAS No: 182193-69-7 Catalog No: AG0023GD MDL No:
Product Description
Catalog Number:
AG0023GD
Chemical Name:
3-Pentanone, 1-[(4-methoxyphenyl)methoxy]-2-methyl-, (2S)-
CAS Number:
182193-69-7
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
(2S)-1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
InChI:
InChI=1S/C14H20O3/c1-4-14(15)11(2)9-17-10-12-5-7-13(16-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3/t11-/m0/s1
InChI Key:
KNLQUQJCBOEJNU-NSHDSACASA-N
SMILES:
CCC(=O)[C@H](COCc1ccc(cc1)OC)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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