Cas no 649569-22-2 (2,3-Naphthalenediol,6-propyl-)
2,3-Naphthalenediol,6-propyl- structure
Product Name:2,3-Naphthalenediol,6-propyl-
CAS No:649569-22-2
MF:C13H14O2
MW:202.249063968658
CID:500192
PubChem ID:121227082
Update Time:2025-04-19
2,3-Naphthalenediol,6-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Naphthalenediol,6-propyl-
- 2,3-Naphthalenediol, 6-propyl- (5CI)
- 6-Propylnaphthalene-2,3-diol
- 649569-22-2
-
- Inchi： 1S/C13H14O2/c1-2-3-9-4-5-10-7-12(14)13(15)8-11(10)6-9/h4-8,14-15H,2-3H2,1H3
- InChI Key： ZMQNGDAOEHHWQT-UHFFFAOYSA-N
- SMILES： OC1C(=CC2C=CC(=CC=2C=1)CCC)O
Computed Properties
- Exact Mass: 202.099
- Monoisotopic Mass: 202.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 205
- 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: 3.8
- Topological Polar Surface Area: 40.5A^2
2,3-Naphthalenediol,6-propyl- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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