Cas no 106949-25-1 (1,3-dimethylnaphthalen-2-ol)
1,3-dimethylnaphthalen-2-ol structure
Product Name:1,3-dimethylnaphthalen-2-ol
CAS No:106949-25-1
MF:C12H12O
MW:172.223083496094
CID:1182497
PubChem ID:19362308
Update Time:2025-04-20
1,3-dimethylnaphthalen-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dimethylnaphthalen-2-ol
- ACMC-20mas7
- 2-Naphthalenol, 1,3-dimethyl-
- 1,3-dimethyl-2-naphthol
- CTK0D6632
- SureCN3953630
- 1,3-Dimethyl-naphthol-(2)
- 1,3-Dimethyl-[2]naphthol
- 2-Hydroxy-1.3-dimethyl-naphthalin
- ACMC-20mas7; 2-Naphthalenol, 1,3-dimethyl-; 1,3-dimethyl-2-naphthol; CTK0D6632; SureCN3953630; 1,3-Dimethyl-naphthol-(2); 1,3-Dimethyl-[2]naphthol; 2-Hydroxy-1.3-dimethyl-naphthalin;
- 106949-25-1
- SCHEMBL3953630
- HS-3139
- DTXSID00598376
-
- Inchi： 1S/C12H12O/c1-8-7-10-5-3-4-6-11(10)9(2)12(8)13/h3-7,13H,1-2H3
- InChI Key： XQFNYYJKCBOXHX-UHFFFAOYSA-N
- SMILES： OC1=C(C)C=C2C=CC=CC2=C1C
Computed Properties
- Exact Mass: 172.088815002g/mol
- Monoisotopic Mass: 172.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 178
- 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: 20.2?2
1,3-dimethylnaphthalen-2-ol Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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