Cas no 39054-97-2 (1H-phenalen-2(3H)-one)
1H-phenalen-2(3H)-one structure
Product Name:1H-phenalen-2(3H)-one
CAS No:39054-97-2
MF:C13H10O
MW:182.217903614044
CID:1498656
PubChem ID:142336
Update Time:2025-04-21
1H-phenalen-2(3H)-one Chemical and Physical Properties
Names and Identifiers
-
- 1H-phenalen-2(3H)-one
- 1,3-Dihydro-2-phenalenone
- 2,3-dihydrophenalen-2-one
- DTXSID10192304
- 39054-97-2
- NAELYKSAHIYOSK-UHFFFAOYSA-N
- SCHEMBL5054879
-
- Inchi： 1S/C13H10O/c14-12-7-10-5-1-3-9-4-2-6-11(8-12)13(9)10/h1-6H,7-8H2
- InChI Key： NAELYKSAHIYOSK-UHFFFAOYSA-N
- SMILES： O=C1CC2C=CC=C3C=CC=C(C1)C=23
Computed Properties
- Exact Mass: 182.0732
- Monoisotopic Mass: 182.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 224
- 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: 2.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1H-phenalen-2(3H)-one Related Literature
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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