Cas no 13098-90-3 (1-Naphthalenemethanol,1-propanoate)
13098-90-3 structure
Product Name:1-Naphthalenemethanol,1-propanoate
CAS No:13098-90-3
MF:C14H14O2
MW:214.259764194489
CID:220892
PubChem ID:13262702
Update Time:2025-04-19
1-Naphthalenemethanol,1-propanoate Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenemethanol,1-propanoate
- naphthalen-1-ylmethyl propanoate
- 1-Menaphthylpropionate
- 1-Naphthalenemethanol, propionate (8CI)
- 1-Naphthalenemethanol,propanoate (9CI)
- 1-Naphthalenemethanol, propanoate
- UNII-2EO074N67F
- 1-NAPHTHALENEMETHANOL, 1-PROPANOATE
- Q27254630
- (Naphthalen-1-yl)methyl propanoate
- 13098-90-3
- SCHEMBL8400366
- AI3-30448
- 2EO074N67F
- DTXSID80926991
- 1-Naphthylmethyl propionate
- 1-NAPHTHALENEMETHANOL, PROPIONATE
-
- Inchi： 1S/C14H14O2/c1-2-14(15)16-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9H,2,10H2,1H3
- InChI Key： XTWNWFAPWQBZRT-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)CC1C=CC=C2C=CC=CC=12
Computed Properties
- Exact Mass: 214.099379685g/mol
- Monoisotopic Mass: 214.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 237
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
1-Naphthalenemethanol,1-propanoate Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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