Cas no 89837-31-0 (2-Naphthalenecarboxylic acid, 7-methoxy-5-methyl-)
89837-31-0 structure
Product Name:2-Naphthalenecarboxylic acid, 7-methoxy-5-methyl-
CAS No:89837-31-0
MF:C13H12O3
MW:216.232583999634
CID:587673
PubChem ID:71326447
Update Time:2025-04-19
2-Naphthalenecarboxylic acid, 7-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 7-methoxy-5-methyl-
- 7-methoxy-5-methylnaphthalene-2-carboxylic acid
- DTXSID20755646
- 89837-31-0
-
- Inchi： 1S/C13H12O3/c1-8-5-11(16-2)7-10-6-9(13(14)15)3-4-12(8)10/h3-7H,1-2H3,(H,14,15)
- InChI Key： ROSABWAIKKSVJN-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(C)=C2C=CC(C(=O)O)=CC2=C1
Computed Properties
- Exact Mass: 216.078644241g/mol
- Monoisotopic Mass: 216.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 264
- 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: 46.5?2
2-Naphthalenecarboxylic acid, 7-methoxy-5-methyl- Related Literature
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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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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
89837-31-0 (2-Naphthalenecarboxylic acid, 7-methoxy-5-methyl-) Related Products
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