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7H-Furo[3,2-g][1]benzopyran-7-one,4,9-dimethoxy-(CAS No. 482-27-9)

7H-Furo[3,2-g][1]benzopyran-7-one,4,9-dimethoxy- C13H10O5 (cas 482-27-9) Molecular Structure

482-27-9 Structure

Identification and Related Records

【Name】
7H-Furo[3,2-g][1]benzopyran-7-one,4,9-dimethoxy-
【Iupac name】
4,9-dimethoxyfuro[3,2-g]chromen-7-one
【CAS Registry number】
482-27-9
【Synonyms】
Isopimpinellin(6CI)
5,8-Dimethoxy-6,7-furanocoumarin
5,8-Dimethoxypsoralen
Isoimpinellin
NSC 217988
NSC 401288
【Molecular Formula】
C13H10 O5 (Products with the same molecular formula)
【Molecular Weight】
246.22
【Inchi】
InChI=1/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
【InChIKey】
DFMAXQKDIGCMTL-UHFFFAOYSA-N
【Canonical SMILES】
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC
【MOL File】
482-27-9.mol

Chemical and Physical Properties

【Density】
1.352g/cm3
【Melting Point】
150-151°C
【Boiling Point】
448.7°Cat760mmHg
【Vapour】
3.05E-08mmHg at 25°C
【Refractive Index】
1.611
【Flash Point】
225.1°C
【Computed Properties】
Molecular Weight:246.2155 [g/mol]
Molecular Formula:C13H10O5
XLogP3:1.9
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:2
Exact Mass:246.052823
MonoIsotopic Mass:246.052823
Topological Polar Surface Area:57.9
Heavy Atom Count:18
Formal Charge:0
Complexity:366
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:4
Feature 3D Ring Count:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
A poison by ingestion.
【Risk Statements】
20/21/22
【Safety Statements 】
A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
【Safety】
Risk Statements:20/21/22
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements:22-36/37/39
22:Do not breathe dust
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
【Specification】

usageEng:Antiviral, anti HIV
Safety Statements:22-36/37/39
22:Do not breathe dust
36/37/39:Wear suitable protective clothing, gloves and eye/face protection

Use and Manufacturing

【Usage】
Antiviral, anti HIV

Biomedical Effects and Toxicity

【Therapeutic Uses】
Antiviral, anti HIV

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member AOPHARM
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Telephone:86-311-66600578
Diamond member Finetech Industry limited.
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Telephone:86-27-87465837
Hui Chem Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-60542966
Sichuan Weikeqi Biological Technology CO., LTD
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Business Type:Other
Telephone:86-28-81700200
Chengdu Herbpurify CO.,LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-28-85249238
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
Boc Sciences
Country:United StatesUnited States
Business Type:Manufacturer
Telephone:1-631-5046093
shanghai Tauto Biotech Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:+86-21-51320588
Shanghai Winherb Medical S&T Development Co.Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-38218169

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