Cas no 169260-84-8 (2-Hydroxyethyl naphthalene-2-carboxylate)
169260-84-8 structure
Product Name:2-Hydroxyethyl naphthalene-2-carboxylate
CAS No:169260-84-8
MF:C13H12O3
MW:216.232583999634
CID:2781643
PubChem ID:71350216
Update Time:2025-04-21
2-Hydroxyethyl naphthalene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 2-naphthoic acid 2-hydroxyethyl ester
- 2-HYDROXYETHYL NAPHTHALENE-2-CARBOXYLATE
- 169260-84-8
- SCHEMBL16606218
- LTHCQJZAUWAZAM-UHFFFAOYSA-N
- DTXSID90776025
- 2-Hydroxyethyl naphthalene-2-carboxylate
-
- Inchi： 1S/C13H12O3/c14-7-8-16-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,7-8H2
- InChI Key： LTHCQJZAUWAZAM-UHFFFAOYSA-N
- SMILES： O(CCO)C(C1C=CC2C=CC=CC=2C=1)=O
Computed Properties
- Exact Mass: 216.078644241Da
- Monoisotopic Mass: 216.078644241Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 239
- 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: 2.9
- Topological Polar Surface Area: 46.5?2
2-Hydroxyethyl naphthalene-2-carboxylate Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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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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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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