Cas no 403507-38-0 (Benzaldehyde, 2-butoxy-5-methoxy-)
403507-38-0 structure
Product Name:Benzaldehyde, 2-butoxy-5-methoxy-
CAS No:403507-38-0
MF:C12H16O3
MW:208.253643989563
CID:2826120
PubChem ID:3813604
Update Time:2025-04-21
Benzaldehyde, 2-butoxy-5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- FFOPXTXCKNPWPB-UHFFFAOYSA-N
- 2-Hydroxy-5-methoxybenzaldehyde, butyl ether
- AKOS009166521
- DTXCID60347640
- DTXSID30396781
- Benzaldehyde, 2-butoxy-5-methoxy-
- 403507-38-0
-
- Inchi： 1S/C12H16O3/c1-3-4-7-15-12-6-5-11(14-2)8-10(12)9-13/h5-6,8-9H,3-4,7H2,1-2H3
- InChI Key： FFOPXTXCKNPWPB-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1C=O)OC)CCCC
Computed Properties
- Exact Mass: 208.109944368Da
- Monoisotopic Mass: 208.109944368Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 182
- 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: 2.6
- Topological Polar Surface Area: 35.5?2
Benzaldehyde, 2-butoxy-5-methoxy- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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