Cas no 16930-99-7 (2-Butenoic acid, heptylester)
2-Butenoic acid, heptylester structure
Product Name:2-Butenoic acid, heptylester
CAS No:16930-99-7
MF:C11H20O2
MW:184.275303840637
CID:199755
PubChem ID:86095
Update Time:2025-04-19
2-Butenoic acid, heptylester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, heptylester
- HEPTYL-CROTONATE
- Einecs 240-999-2
- heptyl 2-butenoate
- 16930-99-7
- heptyl but-2-enoate
- FT-0626934
- DTXSID8066135
- 2-Butenoic acid, heptyl ester
- NS00025554
-
- Inchi： 1S/C11H20O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h4,9H,3,5-8,10H2,1-2H3
- InChI Key： DOBPEHKISOHXTE-UHFFFAOYSA-N
- SMILES： O(C(C=CC)=O)CCCCCCC
Computed Properties
- Exact Mass: 184.14600
- Monoisotopic Mass: 184.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 150
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.07610
2-Butenoic acid, heptylester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
16930-99-7 (2-Butenoic acid, heptylester) Related Products
- 1330-75-2(Diisooctyl fumarate)
- 1330-76-3(Bis(6-methylheptyl) maleate)
- 2997-85-5(Dioctyl fumarate)
- 142-16-5(Bis(2-ethylhexyl)maleate)
- 19139-31-2(Di-N-hexyl Fumarate)
- 105-76-0(Dibutyl maleate)
- 2915-53-9(Dioctyl maleate)
- 19089-92-0(Hexyl trans-2-butenoate)
- 105-75-9(Dibutyl fumarate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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