Cas no 62678-08-4 (1H-Indene-1-propanoic acid, 2,3-dihydro-4,6-dimethyl-)
62678-08-4 structure
Product Name:1H-Indene-1-propanoic acid, 2,3-dihydro-4,6-dimethyl-
CAS No:62678-08-4
MF:C14H18O2
MW:218.291524410248
CID:435549
PubChem ID:12322884
Update Time:2025-04-19
1H-Indene-1-propanoic acid, 2,3-dihydro-4,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indene-1-propanoic acid, 2,3-dihydro-4,6-dimethyl-
- 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)propanoic acid
- DTXSID60488901
- 62678-08-4
-
- Inchi： 1S/C14H18O2/c1-9-7-10(2)12-5-3-11(13(12)8-9)4-6-14(15)16/h7-8,11H,3-6H2,1-2H3,(H,15,16)
- InChI Key： JAXXYUFOCLFODX-UHFFFAOYSA-N
- SMILES： OC(CCC1C2C=C(C)C=C(C)C=2CC1)=O
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 262
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
1H-Indene-1-propanoic acid, 2,3-dihydro-4,6-dimethyl- 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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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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
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
62678-08-4 (1H-Indene-1-propanoic acid, 2,3-dihydro-4,6-dimethyl-) Related Products
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