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158745-55-2 | Hexanal, 2-phenoxy-
CAS No: 158745-55-2 Catalog No: AG001QTF MDL No:
Product Description
Catalog Number:
AG001QTF
Chemical Name:
Hexanal, 2-phenoxy-
CAS Number:
158745-55-2
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2-phenoxyhexanal
InChI:
InChI=1S/C12H16O2/c1-2-3-7-12(10-13)14-11-8-5-4-6-9-11/h4-6,8-10,12H,2-3,7H2,1H3
InChI Key:
JYTUWJQIUCBEOR-UHFFFAOYSA-N
SMILES:
CCCCC(Oc1ccccc1)C=O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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