Cas no 78112-34-2 (2-Naphthalenecarboxylicacid, 5,6,7,8-tetrahydro-3-methoxy-, methyl ester)
78112-34-2 structure
Product Name:2-Naphthalenecarboxylicacid, 5,6,7,8-tetrahydro-3-methoxy-, methyl ester
CAS No:78112-34-2
MF:C13H16O3
MW:220.264344215393
CID:551514
PubChem ID:12738483
Update Time:2025-04-19
2-Naphthalenecarboxylicacid, 5,6,7,8-tetrahydro-3-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylicacid, 5,6,7,8-tetrahydro-3-methoxy-, methyl ester
- 2-Naphthoicacid, 5,6,7,8-tetrahydro-3-methoxy-, methyl ester (6CI)
- 6-Methoxy-7-methoxycarbonyl-1,2,3,4-tetrahydronaphtalene
- 78112-34-2
- 3-methoxy-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid methyl ester
- methyl 3-methoxy-5,6,7,8-tetrahydro-2-naphthalenecarboxylate
- 6-Methoxy-7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene
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- Inchi: 1S/C13H16O3/c1-15-12-8-10-6-4-3-5-9(10)7-11(12)13(14)16-2/h7-8H,3-6H2,1-2H3
- InChI Key: GIPIDPLEUNBMMG-UHFFFAOYSA-N
- SMILES: O(C)C1C(C(=O)OC)=CC2=C(C=1)CCCC2
Computed Properties
- Exact Mass: 220.10998
- Monoisotopic Mass: 220.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 252
- 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: 3.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2-Naphthalenecarboxylicacid, 5,6,7,8-tetrahydro-3-methoxy-, methyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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