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87678-65-7 | Hexanal, 2-(phenylmethoxy)-, (S)-
CAS No: 87678-65-7 Catalog No: AG004NTB MDL No:
Product Description
Catalog Number:
AG004NTB
Chemical Name:
Hexanal, 2-(phenylmethoxy)-, (S)-
CAS Number:
87678-65-7
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
(2S)-2-phenylmethoxyhexanal
InChI:
InChI=1S/C13H18O2/c1-2-3-9-13(10-14)15-11-12-7-5-4-6-8-12/h4-8,10,13H,2-3,9,11H2,1H3/t13-/m0/s1
InChI Key:
XJNJIYJKWNSIHC-ZDUSSCGKSA-N
SMILES:
CCCC[C@@H](C=O)OCc1ccccc1
Properties
Complexity:
162
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:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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