Cas no 83162-90-7 (2,2'-naphthalene-2,6-diyldipropanoic acid)
83162-90-7 structure
Product Name:2,2'-naphthalene-2,6-diyldipropanoic acid
CAS No:83162-90-7
MF:C16H16O4
MW:272.295845031738
CID:1807239
PubChem ID:158313
Update Time:2025-04-21
2,2'-naphthalene-2,6-diyldipropanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,2'-naphthalene-2,6-diyldipropanoic acid
- 2,6-Naphthalenediacetic acid, alpha,alpha'-dimethyl-
- 2-[6-(1-carboxyethyl)naphthalen-2-yl]propanoic acid
- DTXSID401003172
- 2,2'-(Naphthalene-2,6-diyl)dipropanoic acid
- 83162-90-7
-
- Inchi： 1S/C16H16O4/c1-9(15(17)18)11-3-5-14-8-12(10(2)16(19)20)4-6-13(14)7-11/h3-10H,1-2H3,(H,17,18)(H,19,20)
- InChI Key： PHQQRKZGMBMFDT-UHFFFAOYSA-N
- SMILES： OC(C(C)C1C=CC2C=C(C=CC=2C=1)C(C(=O)O)C)=O
Computed Properties
- Exact Mass: 272.10485899g/mol
- Monoisotopic Mass: 272.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 74.6?2
2,2'-naphthalene-2,6-diyldipropanoic acid Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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