Cas no 85608-73-7 (2-Propanol, 1,3-bis(phenylmethoxy)-, 4-methylbenzenesulfonate)
85608-73-7 structure
Product Name:2-Propanol, 1,3-bis(phenylmethoxy)-, 4-methylbenzenesulfonate
CAS No:85608-73-7
MF:C24H28O6S
MW:444.540526390076
CID:1839683
PubChem ID:71414166
Update Time:2025-04-21
2-Propanol, 1,3-bis(phenylmethoxy)-, 4-methylbenzenesulfonate Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1,3-bis(phenylmethoxy)-, 4-methylbenzenesulfonate
- 1,3-bis(phenylmethoxy)propan-2-ol,4-methylbenzenesulfonic acid
- 4-Methylbenzene-1-sulfonic acid--1,3-bis(benzyloxy)propan-2-ol (1/1)
- 85608-73-7
- DTXSID40833657
-
- Inchi： 1S/C17H20O3.C7H8O3S/c18-17(13-19-11-15-7-3-1-4-8-15)14-20-12-16-9-5-2-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17-18H,11-14H2;2-5H,1H3,(H,8,9,10)
- InChI Key： DKXLDIVJTCMULX-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)O.O(CC1C=CC=CC=1)CC(COCC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 444.16065978g/mol
- Monoisotopic Mass: 444.16065978g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 9
- Complexity: 415
- 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: 101?2
2-Propanol, 1,3-bis(phenylmethoxy)-, 4-methylbenzenesulfonate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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