Cas no 123226-30-2 (Acetonitrile, [3-(hydroxymethyl)phenoxy]-)
123226-30-2 structure
Product Name:Acetonitrile, [3-(hydroxymethyl)phenoxy]-
CAS No:123226-30-2
MF:C9H9NO2
MW:163.173262357712
CID:1214598
PubChem ID:11321137
Update Time:2025-04-20
Acetonitrile, [3-(hydroxymethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile, [3-(hydroxymethyl)phenoxy]-
- 2-[3-(hydroxymethyl)phenoxy]acetonitrile
- FQYJUMVWCVSLPH-UHFFFAOYSA-N
- AKOS000247976
- 123226-30-2
- DTXSID70462212
- alpha-(3-Hydroxymethylphenoxy)acetonitrile
- SCHEMBL4850094
-
- Inchi: 1S/C9H9NO2/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6,11H,5,7H2
- InChI Key: FQYJUMVWCVSLPH-UHFFFAOYSA-N
- SMILES: O(CC#N)C1=CC=CC(CO)=C1
Computed Properties
- Exact Mass: 163.063328530g/mol
- Monoisotopic Mass: 163.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 173
- 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: 0.9
- Topological Polar Surface Area: 53.2?2
Acetonitrile, [3-(hydroxymethyl)phenoxy]- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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