Cas no 78957-20-7 (Benzenemethanol, 3-(acetyloxy)-)
78957-20-7 structure
Product Name:Benzenemethanol, 3-(acetyloxy)-
CAS No:78957-20-7
MF:C9H10O3
MW:166.173902988434
CID:533612
PubChem ID:13945612
Update Time:2025-04-19
Benzenemethanol, 3-(acetyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 3-(acetyloxy)-
- [3-(hydroxymethyl)phenyl] acetate
- 3-(HYDROXYMETHYL)PHENYL ACETATE
- 3-acetoxybenzyl alcohol
- 3-acetoxy-benzylalcohol
- 3-Acetoxy-benzylalkohol
- AGN-PC-00OFYX
- CTK2G4694
- I01-8396
- m-acetoxybenzyl alcohol
- SureCN202980
- 78957-20-7
- DTXSID80553009
- SCHEMBL202980
- PZAMFCCILFWVGS-UHFFFAOYSA-N
- AKOS006316915
-
- Inchi： 1S/C9H10O3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-5,10H,6H2,1H3
- InChI Key： PZAMFCCILFWVGS-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=CC=CC(CO)=C1
Computed Properties
- Exact Mass: 166.062994177g/mol
- Monoisotopic Mass: 166.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 156
- 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: 0.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53000
- LogP: 1.10420
Benzenemethanol, 3-(acetyloxy)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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