Cas no 67533-07-7 ()
structure
Product Name:
CAS No:67533-07-7
MF:C3H2O6P
MW:165.018142223358
CID:6645680
PubChem ID:3674425
Update Time:2024-03-01
Chemical and Physical Properties
Names and Identifiers
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- Inchi: 1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)/p-3
- InChI Key: DTBNBXWJWCWCIK-UHFFFAOYSA-K
- SMILES: P(=O)([O-])([O-])OC(=C)C(=O)[O-]
Computed Properties
- Exact Mass: 164.95889978g/mol
- Monoisotopic Mass: 164.95889978g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.6
- Topological Polar Surface Area: 113?2
Experimental Properties
- PSA: 122.36000
- LogP: -0.76430
Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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