Cas no 61632-76-6 (Benzenepropanol, 2-(acetyloxy)-, acetate)
61632-76-6 structure
Product Name:Benzenepropanol, 2-(acetyloxy)-, acetate
CAS No:61632-76-6
MF:C13H18O5
MW:254.279024600983
CID:472023
PubChem ID:71393932
Update Time:2025-04-19
Benzenepropanol, 2-(acetyloxy)-, acetate Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanol, 2-(acetyloxy)-, acetate
- acetic acid,[2-(3-hydroxypropyl)phenyl] acetate
- DTXSID10815667
- Acetic acid--2-(3-hydroxypropyl)phenyl acetate (1/1)
- 61632-76-6
-
- Inchi： 1S/C11H14O3.C2H4O2/c1-9(13)14-11-7-3-2-5-10(11)6-4-8-12;1-2(3)4/h2-3,5,7,12H,4,6,8H2,1H3;1H3,(H,3,4)
- InChI Key： DESDVEBWKCPEHS-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC=CC=1CCCO.OC(C)=O
Computed Properties
- Exact Mass: 254.11544
- Monoisotopic Mass: 254.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 210
- 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: 83.8?2
Experimental Properties
- PSA: 83.83
Benzenepropanol, 2-(acetyloxy)-, acetate Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
61632-76-6 (Benzenepropanol, 2-(acetyloxy)-, acetate) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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