Cas no 35205-77-7 ((3E)-3-methylnon-3-enoic acid)
(3E)-3-methylnon-3-enoic acid structure
Product Name:(3E)-3-methylnon-3-enoic acid
CAS No:35205-77-7
MF:C10H18O2
MW:170.248723506927
CID:1476499
PubChem ID:118787
Update Time:2025-04-21
(3E)-3-methylnon-3-enoic acid Chemical and Physical Properties
Names and Identifiers
-
- (3E)-3-methylnon-3-enoic acid
- (E)-3-methylnon-3-enoic acid
- SYQCXVKMCHQJPQ-VQHVLOKHSA-N
- 35205-77-7
- SCHEMBL10385774
- 3-Methyl-3-nonenoic acid
- (E)-3-methyl-non-3-enoic acid
-
- Inchi： 1S/C10H18O2/c1-3-4-5-6-7-9(2)8-10(11)12/h7H,3-6,8H2,1-2H3,(H,11,12)/b9-7+
- InChI Key： SYQCXVKMCHQJPQ-VQHVLOKHSA-N
- SMILES： OC(C/C(/C)=C/CCCCC)=O
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3?2
- XLogP3: 3.4
Experimental Properties
- Density: 0.937
- Boiling Point: 277.5°C at 760 mmHg
- Flash Point: 174.7°C
- Refractive Index: 1.46
- PSA: 37.3
(3E)-3-methylnon-3-enoic acid Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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