Cas no 66473-01-6 (6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID)
66473-01-6 structure
Product Name:6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID
CAS No:66473-01-6
MF:C18H22O2
MW:270.366085529327
CID:964068
PubChem ID:21182281
Update Time:2025-04-19
6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID Chemical and Physical Properties
Names and Identifiers
-
- 6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID
- 6-n-Heptylnaphthalene-2-carboxylic acidneat
- 6-heptylnaphthalene-2-carboxylic acid
- 66473-01-6
- SCHEMBL7331987
- 6-Heptyl-2-naphthoic acid
- DB-113995
-
- Inchi: 1S/C18H22O2/c1-2-3-4-5-6-7-14-8-9-16-13-17(18(19)20)11-10-15(16)12-14/h8-13H,2-7H2,1H3,(H,19,20)
- InChI Key: OURHICMQMQBYDD-UHFFFAOYSA-N
- SMILES: OC(C1C=CC2=C(C=1)C=CC(=C2)CCCCCCC)=O
Computed Properties
- Exact Mass: 270.16200
- Monoisotopic Mass: 270.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 300
- 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
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 6.2
Experimental Properties
- PSA: 37.30000
- LogP: 5.05090
6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
66473-01-6 (6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID) Related Products
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