Cas no 72216-50-3 (1H-Indene-1-propanoicacid, 2,3-dihydro-3-phenyl-)
72216-50-3 structure
Product Name:1H-Indene-1-propanoicacid, 2,3-dihydro-3-phenyl-
CAS No:72216-50-3
MF:C18H18O2
MW:266.334325313568
CID:566324
PubChem ID:3055290
Update Time:2025-04-19
1H-Indene-1-propanoicacid, 2,3-dihydro-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indene-1-propanoicacid, 2,3-dihydro-3-phenyl-
- 1-Indanpropionic acid, 3-phenyl-
- 3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid
- 3-Phenyl-1-indanpropionic acid
- 3-(3-Phenyl-1-indanyl)propionic acid
- BRN 2137105
- 72216-50-3
- DTXSID40992950
- SCHEMBL11316242
- CHEMBL3251911
-
- Inchi： 1S/C18H18O2/c19-18(20)11-10-14-12-17(13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,14,17H,10-12H2,(H,19,20)
- InChI Key： XTLDALXUGWJVGF-UHFFFAOYSA-N
- SMILES： OC(CCC1C2C=CC=CC=2C(C2C=CC=CC=2)C1)=O
Computed Properties
- Exact Mass: 266.13074
- Monoisotopic Mass: 266.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 332
- 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: 3.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.15
- Boiling Point: 445°C at 760 mmHg
- Flash Point: 341.7°C
- Refractive Index: 1.592
- PSA: 37.3
1H-Indene-1-propanoicacid, 2,3-dihydro-3-phenyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
72216-50-3 (1H-Indene-1-propanoicacid, 2,3-dihydro-3-phenyl-) Related Products
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