Cas no 62681-68-9 (Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime)
62681-68-9 structure
Product Name:Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime
CAS No:62681-68-9
MF:C9H9NO3
MW:179.172662496567
CID:435358
PubChem ID:4661893
Update Time:2025-04-19
Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime
- N-[1-(1,3-benzodioxol-5-yl)ethylidene]hydroxylamine
- 1-Benzo[1,3]dioxol-5-yl-ethanone oxime
- BDSUJNDSNUKNAU-UHFFFAOYSA-N
- DTXSID70405346
- 62681-68-9
- AKOS017263877
-
- Inchi： 1S/C9H9NO3/c1-6(10-11)7-2-3-8-9(4-7)13-5-12-8/h2-4,11H,5H2,1H3
- InChI Key： BDSUJNDSNUKNAU-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(C(C)=NO)=CC1=2
Computed Properties
- Exact Mass: 179.05800
- Monoisotopic Mass: 179.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 1.5
- Topological Polar Surface Area: 51?2
Experimental Properties
- PSA: 51.05000
- LogP: 1.61350
Ethanone, 1-(1,3-benzodioxol-5-yl)-, oxime Related Literature
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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