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7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-buten-1-yl)oxy]-(CAS No. 482-45-1)

7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-buten-1-yl)oxy]- C16H14O4 (cas 482-45-1) Molecular Structure

482-45-1 Structure

Identification and Related Records

【Name】
7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-buten-1-yl)oxy]-
【Iupac name】
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
【CAS Registry number】
482-45-1
【Synonyms】
7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3-methyl-2-butenyl)oxy]- (8CI,9CI)
Isoimperatorin (6CI)
4-[(3-Methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-
7H-furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-buten-1-yl)oxy]-
AC1Q6AY9
AC1L28ZP
【Molecular Formula】
C16H14O4 (Products with the same molecular formula)
【Molecular Weight】
270.28
【Inchi】
InChI=1/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
【InChIKey】
IGWDEVSBEKYORK-UHFFFAOYSA-N
【Canonical SMILES】
CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C
【MOL File】
482-45-1.mol

Chemical and Physical Properties

【Appearance】
White Powder
【Density】
1.242 g/cm3
【Melting Point】
109 C
【Boiling Point】
448.3 °C at 760 mmHg
【Vapour】
3.13E-08mmHg at 25°C
【Refractive Index】
1.606
【Flash Point】
224.9 °C
【Storage temp】
-20°C Freezer
【Computed Properties】
Molecular Weight:270.27996 [g/mol]
Molecular Formula:C16H14O4
XLogP3-AA:3.8
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:3
Exact Mass:270.089209
MonoIsotopic Mass:270.089209
Topological Polar Surface Area:48.7
Heavy Atom Count:20
Formal Charge:0
Complexity:436
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:23

Safety and Handling

【Specification】

 Isoimperatorin , its cas register number is 482-45-1. It also can be called Iso-imperatorin ; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)- .

Use and Manufacturing

【Usage】

 Isoimperatorin (CAS NO.482-45-1) can be used as anti-inflammatory. It has effect on proliferation.

Biomedical Effects and Toxicity

【Therapeutic Uses】
Anti-inflammatory. Effect on proliferation

Supplier Location

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