Cas no 56074-73-8 (Benzaldehyde, 2-[(3-methyl-2-butenyl)oxy]-)
56074-73-8 structure
Product Name:Benzaldehyde, 2-[(3-methyl-2-butenyl)oxy]-
CAS No:56074-73-8
MF:C12H14O2
MW:190.238363742828
CID:349904
PubChem ID:10702842
Update Time:2025-04-19
Benzaldehyde, 2-[(3-methyl-2-butenyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-[(3-methyl-2-butenyl)oxy]-
- 2-(3-methylbut-2-enoxy)benzaldehyde
- QMYNUASZONCCEI-UHFFFAOYSA-N
- AKOS000249122
- DTXSID60443696
- 56074-73-8
- SCHEMBL4241452
- 2-(3-methyl-2-butenyloxy)-benzaldehyde
-
- Inchi: 1S/C12H14O2/c1-10(2)7-8-14-12-6-4-3-5-11(12)9-13/h3-7,9H,8H2,1-2H3
- InChI Key: QMYNUASZONCCEI-UHFFFAOYSA-N
- SMILES: O(C1C=CC=CC=1C=O)C/C=C(\C)/C
Computed Properties
- Exact Mass: 190.09942
- Monoisotopic Mass: 190.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 204
- 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: 3.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzaldehyde, 2-[(3-methyl-2-butenyl)oxy]- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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