Cas no 656810-19-4 (Benzaldehyde, 3-(heptyloxy)-4-methoxy-)
656810-19-4 structure
Product Name:Benzaldehyde, 3-(heptyloxy)-4-methoxy-
CAS No:656810-19-4
MF:C15H22O3
MW:250.333384990692
CID:397646
PubChem ID:4913399
Update Time:2025-04-19
Benzaldehyde, 3-(heptyloxy)-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 3-(heptyloxy)-4-methoxy-
- 3-heptoxy-4-methoxybenzaldehyde
- DTXSID70406772
- 656810-19-4
- AKOS002665021
-
- Inchi： 1S/C15H22O3/c1-3-4-5-6-7-10-18-15-11-13(12-16)8-9-14(15)17-2/h8-9,11-12H,3-7,10H2,1-2H3
- InChI Key： LTDVYUNYQIIDOF-UHFFFAOYSA-N
- SMILES： O(C1C=C(C=O)C=CC=1OC)CCCCCCC
Computed Properties
- Exact Mass: 250.15696
- Monoisotopic Mass: 250.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 218
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzaldehyde, 3-(heptyloxy)-4-methoxy- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
656810-19-4 (Benzaldehyde, 3-(heptyloxy)-4-methoxy-) Related Products
- 57695-98-4(3-Methoxy-4-propoxybenzaldehyde)
- 51301-87-2(4-butoxy-3-methoxybenzaldehyde)
- 131525-50-3(3,4-Bis(octyloxy)benzaldehyde)
- 117241-25-5(Benzaldehyde,3,4-bis(dodecyloxy)-)
- 34127-96-3(3-butoxy-4-methoxybenzaldehyde)
- 118468-34-1(3',4'-(Didecyloxy)benzaldehyde)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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