Cas no 144602-42-6 (3-Oxopropanenitrile;hydrate)
3-Oxopropanenitrile;hydrate structure
Product Name:3-Oxopropanenitrile;hydrate
CAS No:144602-42-6
MF:C3H5NO2
MW:87.077300786972
CID:2777653
PubChem ID:71345823
Update Time:2025-04-21
3-Oxopropanenitrile;hydrate Chemical and Physical Properties
Names and Identifiers
-
- 3-Oxopropanenitrile;hydrate
- 144602-42-6
- 3-Oxopropanenitrile--water (1/1)
- DTXSID20772070
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- Inchi： 1S/C3H3NO.H2O/c4-2-1-3-5;/h3H,1H2;1H2
- InChI Key： FQYDOIJMQZVTAT-UHFFFAOYSA-N
- SMILES： O=CCC#N.O
Computed Properties
- Exact Mass: 87.032028402Da
- Monoisotopic Mass: 87.032028402Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 68.2
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.9?2
3-Oxopropanenitrile;hydrate Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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