Cas no 80953-51-1 (Benzenemethanol, 2-iodo-, acetate)
80953-51-1 structure
Product Name:Benzenemethanol, 2-iodo-, acetate
CAS No:80953-51-1
MF:C9H11IO3
MW:294.086315393448
CID:704729
PubChem ID:71421065
Update Time:2025-04-19
Benzenemethanol, 2-iodo-, acetate Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2-iodo-, acetate
- acetic acid,(2-iodophenyl)methanol
- (2-iodophenyl)methyl acetate
- 2-acetylbenzyl acetate
- 2-iodobenzyl acetate
- acetic acid-(2-iodo-benzyl ester)
- Essigsaeure-(2-jod-benzylester)
- 80953-51-1
- DTXSID30840234
- Acetic acid--(2-iodophenyl)methanol (1/1)
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- Inchi: 1S/C7H7IO.C2H4O2/c8-7-4-2-1-3-6(7)5-9;1-2(3)4/h1-4,9H,5H2;1H3,(H,3,4)
- InChI Key: ISFVQVQOXPBIGZ-UHFFFAOYSA-N
- SMILES: IC1C=CC=CC=1CO.OC(C)=O
Computed Properties
- Exact Mass: 293.97500
- Monoisotopic Mass: 293.97529g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 116
- 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: 57.5?2
Experimental Properties
- PSA: 57.53000
- LogP: 1.87440
Benzenemethanol, 2-iodo-, acetate Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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