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19790-63-7 | Hexanal, 6-phenoxy-
CAS No: 19790-63-7 Catalog No: AG002B5F MDL No:
Product Description
Catalog Number:
AG002B5F
Chemical Name:
Hexanal, 6-phenoxy-
CAS Number:
19790-63-7
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
6-phenoxyhexanal
InChI:
InChI=1S/C12H16O2/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-5,8-10H,1-2,6-7,11H2
InChI Key:
GRIZYJVXLJZHDV-UHFFFAOYSA-N
SMILES:
O=CCCCCCOc1ccccc1
Properties
Complexity:
139
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:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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