Cas no 5673-37-0 (2H-1-Benzopyran-2-one, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-)
5673-37-0 structure
Product Name:2H-1-Benzopyran-2-one, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-
CAS No:5673-37-0
MF:C15H18O5
MW:278.300425052643
CID:1599614
PubChem ID:5070783
Update Time:2025-04-21
2H-1-Benzopyran-2-one, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-
- 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one
- CHEBI:181662
- 5673-37-0
- PD125348
- 7-methoxy-8-(2',3'-dihydroxy-3'-methylbutyl)coumarin
- Coumarin, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-
- SCHEMBL50013
- MLS000877031
- DTXSID60408023
- AKOS032948394
- XM163793
- BRD-A09581883-001-01-7
- ACon1_000705
- KGGUASRIGLRPAX-UHFFFAOYSA-N
- CHEMBL433093
- HMS2269D15
- SMR000440691
- 7-methoxy-8-(2',3'-dihydroxy-isopentyl)-coumarin
- MEGxp0_000217
- A878078
- Meranzin hydrate
- 8-(2,3-Dihydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one
-
- Inchi： 1S/C15H18O5/c1-15(2,18)12(16)8-10-11(19-3)6-4-9-5-7-13(17)20-14(9)10/h4-7,12,16,18H,8H2,1-3H3
- InChI Key： KGGUASRIGLRPAX-UHFFFAOYSA-N
- SMILES： OC(C)(C)C(CC1C(=CC=C2C=CC(=O)OC=12)OC)O
Computed Properties
- Exact Mass: 278.11544
- Monoisotopic Mass: 278.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 390
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 76?2
Experimental Properties
- PSA: 75.99
2H-1-Benzopyran-2-one, 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxy- Related Literature
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Coumarins and derivatives Coumarins and derivatives
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Coumarins and derivatives
- Natural Products and Extracts Plant Extracts Plant based Magydaris pastinacea
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