Cas no 105037-92-1 (Haplomyrtin)
Haplomyrtin structure
Product Name:Haplomyrtin
CAS No:105037-92-1
MF:C20H14O7
MW:366.320966243744
CID:1149128
Update Time:2024-07-26
Haplomyrtin Chemical and Physical Properties
Names and Identifiers
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- Haplomyrtin
- Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4,7-dihydroxy-6-methoxy-
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- Inchi： 1S/C20H14O7/c1-24-15-6-11-10(5-13(15)21)17(18-12(19(11)22)7-25-20(18)23)9-2-3-14-16(4-9)27-8-26-14/h2-6,21-22H,7-8H2,1H3
- InChI Key： IFYIHGHEIRCOSQ-UHFFFAOYSA-N
- SMILES： COC1C(O)=CC2C(=C(C3=C(C=2C2C=C4C(OCO4)=CC=2)C(=O)OC3)O)C=1
Computed Properties
- Exact Mass: 366.07392
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- XLogP3: 1.398
Experimental Properties
- Density: 1.542±0.06 g/cm3(Predicted)
- Boiling Point: 676.3±55.0 °C(Predicted)
- PSA: 94.45
- pka: 7.82±0.20(Predicted)
Haplomyrtin Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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