Cas no 61271-90-7 (3-Nonenoic acid, 4-methyl-)
3-Nonenoic acid, 4-methyl- structure
Product Name:3-Nonenoic acid, 4-methyl-
CAS No:61271-90-7
MF:C10H18O2
MW:170.248723506927
CID:486311
PubChem ID:54242513
Update Time:2025-04-19
3-Nonenoic acid, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Nonenoic acid, 4-methyl-
- 4-methylnon-3-enoic acid
- DTXSID90709999
- 61271-90-7
-
- Inchi: 1S/C10H18O2/c1-3-4-5-6-9(2)7-8-10(11)12/h7H,3-6,8H2,1-2H3,(H,11,12)
- InChI Key: QQZVHSKDJXHMBX-UHFFFAOYSA-N
- SMILES: OC(CC=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: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Nonenoic acid, 4-methyl- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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