Cas no 77772-06-6 (3-methylundecanal)
3-methylundecanal structure
Product Name:3-methylundecanal
CAS No:77772-06-6
MF:C12H24O
MW:184.318364143372
CID:983795
PubChem ID:3018740
Update Time:2025-04-20
3-methylundecanal Chemical and Physical Properties
Names and Identifiers
-
- 3-methylundecanal
- SCHEMBL158205
- EINECS 278-766-2
- NS00058572
- DTXSID50998963
- 77772-06-6
- SXYARAIVIPVMGK-UHFFFAOYSA-N
- 3-methyl undecanal
-
- Inchi： 1S/C12H24O/c1-3-4-5-6-7-8-9-12(2)10-11-13/h11-12H,3-10H2,1-2H3
- InChI Key： SXYARAIVIPVMGK-UHFFFAOYSA-N
- SMILES： O=CCC(C)CCCCCCCC
Computed Properties
- Exact Mass: 184.182715385g/mol
- Monoisotopic Mass: 184.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.8363 (estimate)
- Melting Point: 12°C (estimate)
- Boiling Point: 248.3°C (estimate)
- Refractive Index: 1.4316 (estimate)
3-methylundecanal Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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