Cas no 88663-52-9 (4-Nonen-6-ynoic acid, (E)-)
4-Nonen-6-ynoic acid, (E)- structure
Product Name:4-Nonen-6-ynoic acid, (E)-
CAS No:88663-52-9
MF:C9H12O2
MW:152.190382957458
CID:625117
PubChem ID:71319427
Update Time:2025-04-19
4-Nonen-6-ynoic acid, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Nonen-6-ynoic acid, (E)-
- non-4-en-6-ynoic acid
- DTXSID90749451
- 88663-52-9
-
- Inchi: 1S/C9H12O2/c1-2-3-4-5-6-7-8-9(10)11/h5-6H,2,7-8H2,1H3,(H,10,11)
- InChI Key: PJNNEEAKHMAMNA-UHFFFAOYSA-N
- SMILES: OC(CCC=CC#CCC)=O
Computed Properties
- Exact Mass: 152.083729621g/mol
- Monoisotopic Mass: 152.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 202
- 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: 1.9
- Topological Polar Surface Area: 37.3?2
4-Nonen-6-ynoic acid, (E)- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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