Cas no 4265-32-1 (1,2-Propanediol, 3-phenoxy-, dibenzoate)
4265-32-1 structure
Product Name:1,2-Propanediol, 3-phenoxy-, dibenzoate
CAS No:4265-32-1
MF:C23H24O7
MW:412.432467460632
CID:1515252
PubChem ID:71363164
Update Time:2025-04-21
1,2-Propanediol, 3-phenoxy-, dibenzoate Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol, 3-phenoxy-, dibenzoate
- benzoic acid,3-phenoxypropane-1,2-diol
- DTXSID50786741
- Benzoic acid--3-phenoxypropane-1,2-diol (2/1)
- 4265-32-1
-
- Inchi： 1S/C9H12O3.2C7H6O2/c10-6-8(11)7-12-9-4-2-1-3-5-9;2*8-7(9)6-4-2-1-3-5-6/h1-5,8,10-11H,6-7H2;2*1-5H,(H,8,9)
- InChI Key： MLOCBSCPJCGNHP-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)CC(CO)O.OC(C1C=CC=CC=1)=O.OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 412.15222
- Monoisotopic Mass: 412.15220310g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 214
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 124?2
Experimental Properties
- PSA: 124.29
1,2-Propanediol, 3-phenoxy-, dibenzoate Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
4265-32-1 (1,2-Propanediol, 3-phenoxy-, dibenzoate) Related Products
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