Cas no 130930-29-9 (1,2-Propanediol, 3-nitro-)
1,2-Propanediol, 3-nitro- structure
Product Name:1,2-Propanediol, 3-nitro-
CAS No:130930-29-9
MF:C3H7NO4
MW:121.091981172562
CID:2770058
PubChem ID:12142993
Update Time:2025-04-21
1,2-Propanediol, 3-nitro- Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL17460080
- 130930-29-9
- 1,2-Propanediol, 3-nitro-
- DTXSID00478467
-
- Inchi： 1S/C3H7NO4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2
- InChI Key： KNAFKGCUHDGMGE-UHFFFAOYSA-N
- SMILES： OC(CO)C[N+](=O)[O-]
Computed Properties
- Exact Mass: 121.03750770Da
- Monoisotopic Mass: 121.03750770Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 77.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.3
- Topological Polar Surface Area: 86.3?2
1,2-Propanediol, 3-nitro- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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