Cas no 100742-32-3 (7-methoxy-3-(3-methylbut-2-enyl)chromen-2-one)
100742-32-3 structure
Product Name:7-methoxy-3-(3-methylbut-2-enyl)chromen-2-one
CAS No:100742-32-3
MF:C15H16O3
MW:244.285744667053
CID:1127121
PubChem ID:12051368
Update Time:2025-04-20
7-methoxy-3-(3-methylbut-2-enyl)chromen-2-one Chemical and Physical Properties
Names and Identifiers
-
- 7-methoxy-3-(3-methylbut-2-enyl)chromen-2-one
- (3',3'-dimethylallyl)-7-methoxycoumarin
- 100742-32-3
- DTXSID50476519
- 2H-1-Benzopyran-2-one, 7-methoxy-3-(3-methyl-2-buten-1-yl)-
- 2H-1-Benzopyran-2-one, 7-methoxy-3-(3-methyl-2-butenyl)-
-
- Inchi： 1S/C15H16O3/c1-10(2)4-5-12-8-11-6-7-13(17-3)9-14(11)18-15(12)16/h4,6-9H,5H2,1-3H3
- InChI Key： PENBKJQHRGRFQC-UHFFFAOYSA-N
- SMILES： O1C(C(=CC2C=CC(=CC1=2)OC)C/C=C(\C)/C)=O
Computed Properties
- Exact Mass: 244.10998
- Monoisotopic Mass: 244.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 377
- 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: 35.5?2
Experimental Properties
- PSA: 35.53
7-methoxy-3-(3-methylbut-2-enyl)chromen-2-one Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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