Cas no 179112-45-9 (2-Naphthalenecarboxylic acid, 3,7-dihydroxy-, methyl ester)
179112-45-9 structure
Product Name:2-Naphthalenecarboxylic acid, 3,7-dihydroxy-, methyl ester
CAS No:179112-45-9
MF:C12H10O4
MW:218.205403804779
CID:1373737
PubChem ID:22173744
Update Time:2025-04-20
2-Naphthalenecarboxylic acid, 3,7-dihydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 3,7-dihydroxy-, methyl ester
- methyl 3,7-dihydroxy-naphthalene-2-carboxylate
- DB-135997
- SXEMHNUCWJFSSD-UHFFFAOYSA-N
- SCHEMBL629964
- CHEMBL141878
- 3,7-Dihydroxynaphthalene-2-carboxylic acid methyl ester
- 179112-45-9
- methyl 3,7-dihydroxy-2-naphthoate
- 3,7-Dihydroxy-2-naphthalenecarboxylic acid methyl ester
- DB-334520
-
- Inchi： 1S/C12H10O4/c1-16-12(15)10-5-8-4-9(13)3-2-7(8)6-11(10)14/h2-6,13-14H,1H3
- InChI Key： SXEMHNUCWJFSSD-UHFFFAOYSA-N
- SMILES： OC1C=C2C=CC(=CC2=CC=1C(=O)OC)O
Computed Properties
- Exact Mass: 218.0579
- Monoisotopic Mass: 218.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 266
- 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: 66.8?2
Experimental Properties
- PSA: 66.76
2-Naphthalenecarboxylic acid, 3,7-dihydroxy-, methyl ester Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
179112-45-9 (2-Naphthalenecarboxylic acid, 3,7-dihydroxy-, methyl ester) Related Products
- 2150-46-1(Methyl 2,5-dihydroxybenzoate)
- 118-58-1(Benzyl salicylate)
- 118-61-6(Ethyl salicylate)
- 119-36-8(Methyl salicylate)
- 2150-47-2(Methyl 2,4-dihydroxybenzoate)
- 606-45-1(Methyl 2-methoxybenzoate)
- 87-28-5(Glycol salicylate)
- 2150-45-0(Methyl 2,6-dihydroxybenzoate)
- 883-99-8(Methyl 3-hydroxy-2-naphthoate)
- 947-65-9(Methyl 2-hydroxy-1-naphthoate)
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