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5736-91-4 | 4-(Pentyloxy)benzaldehyde
CAS No: 5736-91-4 Catalog No: AG003K9Z MDL No:MFCD00014135
Product Description
Catalog Number:
AG003K9Z
Chemical Name:
4-(Pentyloxy)benzaldehyde
CAS Number:
5736-91-4
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00014135
IUPAC Name:
4-pentoxybenzaldehyde
InChI:
InChI=1S/C12H16O2/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h5-8,10H,2-4,9H2,1H3
InChI Key:
YAPVGSXODFOBBR-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C=O
EC Number:
227-250-5
UNII:
PL312YEG7F
NSC Number:
69105
Properties
Complexity:
148
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| (E)-3-[4-(Pent-yloxy)phen-yl]-1-phenyl-prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20090601 |
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