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Specification
The molecular formula of 4-Methoxy-3-(pentyloxy)benzaldehyde is C13H18O3.
The molecular weight of 4-Methoxy-3-(pentyloxy)benzaldehyde is 222.28 g/mol.
The IUPAC name of 4-Methoxy-3-(pentyloxy)benzaldehyde is 4-methoxy-3-pentoxybenzaldehyde.
The InChI of 4-Methoxy-3-(pentyloxy)benzaldehyde is InChI=1S/C13H18O3/c1-3-4-5-8-16-13-9-11(10-14)6-7-12(13)15-2/h6-7,9-10H,3-5,8H2,1-2H3.
The InChIKey of 4-Methoxy-3-(pentyloxy)benzaldehyde is RBKOEPNLFQXHJD-UHFFFAOYSA-N.
The Canonical SMILES of 4-Methoxy-3-(pentyloxy)benzaldehyde is CCCCCOC1=C(C=CC(=C1)C=O)OC.
The XLogP3-AA value of 4-Methoxy-3-(pentyloxy)benzaldehyde is 3.1.
4-Methoxy-3-(pentyloxy)benzaldehyde has 0 hydrogen bond donor count.
4-Methoxy-3-(pentyloxy)benzaldehyde has 3 hydrogen bond acceptor counts.
4-Methoxy-3-(pentyloxy)benzaldehyde has 7 rotatable bond counts.