Cas no 112608-41-0 (Cyclopentanemethanol,dihydrogen phosphate (9CI))
112608-41-0 structure
Product Name:Cyclopentanemethanol,dihydrogen phosphate (9CI)
CAS No:112608-41-0
MF:C6H13O4P
MW:180.138783216476
CID:129843
PubChem ID:68639084
Update Time:2025-04-19
Cyclopentanemethanol,dihydrogen phosphate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanemethanol,dihydrogen phosphate (9CI)
- Cyclopentanemethanol, dihydrogen phosphate (9CI)
- cyclopentylmethyl dihydrogen phosphate
- SY299199
- SCHEMBL3429348
- 112608-41-0
-
- Inchi： 1S/C6H13O4P/c7-11(8,9)10-5-6-3-1-2-4-6/h6H,1-5H2,(H2,7,8,9)
- InChI Key： VWVCQDZOZNEYNX-UHFFFAOYSA-N
- SMILES： P(=O)(O)(O)OCC1CCCC1
Computed Properties
- Exact Mass: 180.05519
- Monoisotopic Mass: 180.05514589g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 158
- 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: 0.3
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Cyclopentanemethanol,dihydrogen phosphate (9CI) Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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