Cas no 88220-18-2 (Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)-)
88220-18-2 structure
Product Name:Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)-
CAS No:88220-18-2
MF:C20H14O2S
MW:318.388964176178
CID:640878
PubChem ID:13128303
Update Time:2025-04-19
Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)-
- 2-(benzo[g][1]benzothiol-2-ylmethyl)benzoic acid
- DTXSID90520227
- 2-[(Naphtho[1,2-b]thiophen-2-yl)methyl]benzoic acid
- 88220-18-2
-
- Inchi: 1S/C20H14O2S/c21-20(22)18-8-4-2-6-14(18)11-16-12-15-10-9-13-5-1-3-7-17(13)19(15)23-16/h1-10,12H,11H2,(H,21,22)
- InChI Key: KADONVUZVCKGOW-UHFFFAOYSA-N
- SMILES: S1C(=CC2C=CC3C=CC=CC=3C1=2)CC1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 318.07145086g/mol
- Monoisotopic Mass: 318.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 437
- 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: 5.7
- Topological Polar Surface Area: 65.5?2
Benzoic acid, 2-(naphtho[1,2-b]thien-2-ylmethyl)- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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