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149365-08-2 | 2-Propenal, 3-[4-(hexyloxy)phenyl]-, (2E)-
CAS No: 149365-08-2 Catalog No: AG001LM0 MDL No:
Product Description
Catalog Number:
AG001LM0
Chemical Name:
2-Propenal, 3-[4-(hexyloxy)phenyl]-, (2E)-
CAS Number:
149365-08-2
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
3-(4-hexoxyphenyl)prop-2-enal
InChI:
InChI=1S/C15H20O2/c1-2-3-4-5-13-17-15-10-8-14(9-11-15)7-6-12-16/h6-12H,2-5,13H2,1H3
InChI Key:
AQJRSZNGHXWFIB-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)/C=C/C=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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