Cas no 335162-56-6 (3,6-Nonadien-2-one (9CI))
3,6-Nonadien-2-one (9CI) structure
Product Name:3,6-Nonadien-2-one (9CI)
CAS No:335162-56-6
MF:C9H14O
MW:138.206862926483
CID:1020160
PubChem ID:53249511
Update Time:2025-04-20
3,6-Nonadien-2-one (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3,6-Nonadien-2-one (9CI)
- nona-3,6-dien-2-one
- 335162-56-6
- 3,6-NONADIEN-2-ONE
- DB-234971
- (3E,6e)-3,6-nonadien-2-one
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- Inchi: 1S/C9H14O/c1-3-4-5-6-7-8-9(2)10/h4-5,7-8H,3,6H2,1-2H3/b5-4+,8-7+
- InChI Key: LXEYQCJEHJZVAR-AOSYACOCSA-N
- SMILES: O=C(C)/C=C/C/C=C/CC
Computed Properties
- Exact Mass: 138.104465066g/mol
- Monoisotopic Mass: 138.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 17.1?2
3,6-Nonadien-2-one (9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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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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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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