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101492-91-5 | Hexanal, 6-(phenylmethoxy)-
CAS No: 101492-91-5 Catalog No: AG0004MC MDL No:
Product Description
Catalog Number:
AG0004MC
Chemical Name:
Hexanal, 6-(phenylmethoxy)-
CAS Number:
101492-91-5
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
6-phenylmethoxyhexanal
InChI:
InChI=1S/C13H18O2/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-10H,1-2,6-7,11-12H2
InChI Key:
OKBHPVOFRDHZPQ-UHFFFAOYSA-N
SMILES:
O=CCCCCCOCc1ccccc1
NSC Number:
686505
Properties
Complexity:
151
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:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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