Cas no 94247-82-2 (2H-1-Benzopyran-2-one,(3-methylbutyl)- (9CI))
94247-82-2 structure
Product Name:2H-1-Benzopyran-2-one,(3-methylbutyl)- (9CI)
CAS No:94247-82-2
MF:C14H16O2
MW:216.275644302368
CID:807194
PubChem ID:44153829
Update Time:2025-04-19
2H-1-Benzopyran-2-one,(3-methylbutyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one,(3-methylbutyl)- (9CI)
- 3-(3-methylbutyl)chromen-2-one
- isopentyl-2-benzopyrone
- 94247-82-2
- isopentylcoumarin
- DTXSID80241272
- EINECS 304-253-0
-
- Inchi： 1S/C14H16O2/c1-10(2)7-8-12-9-11-5-3-4-6-13(11)16-14(12)15/h3-6,9-10H,7-8H2,1-2H3
- InChI Key： MUTDFGUDDPWCGY-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2C=C(C1=O)CCC(C)C
Computed Properties
- Exact Mass: 216.115029749g/mol
- Monoisotopic Mass: 216.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 291
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.1
- Topological Polar Surface Area: 26.3?2
2H-1-Benzopyran-2-one,(3-methylbutyl)- (9CI) Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
94247-82-2 (2H-1-Benzopyran-2-one,(3-methylbutyl)- (9CI)) Related Products
- 86654-26-4(7-Hydroxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one)
- 20862-58-2((2-oxo-2H-chromen-3-yl)acetic acid)
- 1846-73-7(3-butanoyl-2H-chromen-2-one)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
