Cas no 40815-76-7 (1,4-Naphthalenedione,2-hydroxy-3-(2-propen-1-yl)-)
40815-76-7 structure
Product Name:1,4-Naphthalenedione,2-hydroxy-3-(2-propen-1-yl)-
CAS No:40815-76-7
MF:C13H10O3
MW:214.216703891754
CID:333027
PubChem ID:260637
Update Time:2025-04-19
1,4-Naphthalenedione,2-hydroxy-3-(2-propen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-hydroxy-3-(2-propen-1-yl)-
- 2-Allyl-3-hydroxy-[1,4]naphthochinon
- 2-allyl-3-hydroxy-[1,4]naphthoquinone
- 2-allyl-3-hydroxy-1,4-naphthoquinone
- 2-allyl-3-hydroxy-4-methoxy-benzyl alcohol
- 2-Allyl-3-hydroxy-4-methoxy-benzylalkohol
- 2-allyl-3-hydroxynaphthalene-1,4-dione
- 2-hydroxy-3-allyl-1,4-naphthoquinone
- 3-allyl-2-hydroxy-1,4-naphthoquinone
- Benzenemethanol, 3-hydroxy-4-methoxy-2-(2-propenyl)-
- C-allyl lawsone
- CTK2G2491
- 2-allyl-3-hydroxy-naphthalene-1,4-dione
- DTXSID40961227
- NSC-92198
- SCHEMBL939989
- hydroxy-3-allyl-1,4-naphthoquinone
- 40815-76-7
- NSC92198
- CHEMBL1830435
- 2-HYDROXY-3-(PROP-2-EN-1-YL)NAPHTHALENE-1,4-DIONE
- PVIWVKMZXPXKCD-UHFFFAOYSA-N
- AKOS030489931
-
- Inchi： 1S/C13H10O3/c1-2-5-10-11(14)8-6-3-4-7-9(8)12(15)13(10)16/h2-4,6-7,14H,1,5H2
- InChI Key： ZMXVQCGBTVMRPV-UHFFFAOYSA-N
- SMILES： OC1=C(C(C(C2C=CC=CC=21)=O)=O)CC=C
Computed Properties
- Exact Mass: 214.06300
- Monoisotopic Mass: 214.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 379
- 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: 1.9
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.3
- Boiling Point: 373.9°C at 760 mmHg
- Flash Point: 194.1°C
- Refractive Index: 1.624
- PSA: 54.37000
- LogP: 2.45380
1,4-Naphthalenedione,2-hydroxy-3-(2-propen-1-yl)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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