Cas no 260-42-4 ()
structure
Product Name:
CAS No:260-42-4
MF:C13H10O
MW:182.217903614044
CID:2838202
PubChem ID:22983284
Update Time:2025-04-21
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C13H10O/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-6,8-9H,7H2
- InChI Key： WHFSBRHJIWVCDM-UHFFFAOYSA-N
- SMILES： O1CC=CC2C=C3C=CC=CC3=CC1=2
Computed Properties
- Exact Mass: 182.073164938g/mol
- 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: 233
- 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: 3.5
- Topological Polar Surface Area: 9.2?2
Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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