Cas no 100396-88-1 (Ethanone,1-[5-(phenylmethyl)-2-furanyl]-)
![Ethanone,1-[5-(phenylmethyl)-2-furanyl]- structure](https://ossimg.kuujia.com/scimg/100500/100396-88-1x500.png)
100396-88-1 structure
Product Name:Ethanone,1-[5-(phenylmethyl)-2-furanyl]-
CAS No:100396-88-1
MF:C13H12O2
MW:200.233183860779
CID:124081
PubChem ID:17750906
Update Time:2025-04-18
Ethanone,1-[5-(phenylmethyl)-2-furanyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[5-(phenylmethyl)-2-furanyl]-
- 1-(5-benzylfuran-2-yl)ethanone
- 1-(5-BENZYL-2-FURYL)ETHANONE
- 1-(5-Benzylfuran-2-yl)ethan-1-one
- 100396-88-1
- SCHEMBL756355
- DTXSID80590757
-
- Inchi： 1S/C13H12O2/c1-10(14)13-8-7-12(15-13)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
- InChI Key： BQKRHTUFOKREDU-UHFFFAOYSA-N
- SMILES： O1C(C(C)=O)=CC=C1CC1C=CC=CC=1
Computed Properties
- Exact Mass: 200.08376
- Monoisotopic Mass: 200.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 219
- 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: 3
- Topological Polar Surface Area: 30.2?2
Experimental Properties
- PSA: 30.21
Ethanone,1-[5-(phenylmethyl)-2-furanyl]- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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