Cas no 63274-92-0 (3-(Hydroxyimino)heptane-2,4-dione)
63274-92-0 structure
Product Name:3-(Hydroxyimino)heptane-2,4-dione
CAS No:63274-92-0
MF:C7H11NO3
MW:157.167142152786
CID:2790226
PubChem ID:136273871
Update Time:2025-04-21
3-(Hydroxyimino)heptane-2,4-dione Chemical and Physical Properties
Names and Identifiers
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- 63274-92-0
- DTXSID90795872
- 3-(Hydroxyimino)heptane-2,4-dione
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- Inchi： 1S/C7H11NO3/c1-3-4-6(10)7(8-11)5(2)9/h10H,3-4H2,1-2H3
- InChI Key： SEADYZBHFKQFHP-UHFFFAOYSA-N
- SMILES： OC(=C(C(C)=O)N=O)CCC
Computed Properties
- Exact Mass: 157.07389321Da
- Monoisotopic Mass: 157.07389321Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 196
- 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: 1.1
- Topological Polar Surface Area: 66.7?2
3-(Hydroxyimino)heptane-2,4-dione Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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