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7-Hydroxycoumarin(CAS No. 93-35-6)

7-Hydroxycoumarin C9H6O3 (cas 93-35-6) Molecular Structure

93-35-6 Structure

Identification and Related Records

【Name】
7-Hydroxycoumarin
【CAS Registry number】
93-35-6
【Synonyms】
Umbelliferone,99%
Umbelliferone
【EINECS(EC#)】
202-240-3
【Molecular Formula】
C9H6O3 (Products with the same molecular formula)
【Molecular Weight】
162.14
【Inchi】
InChI=1/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
【InChIKey】
ORHBXUUXSCNDEV-UHFFFAOYSA-N
【MOL File】
93-35-6.mol

Chemical and Physical Properties

【Appearance】
off-white crystalline powder
【Density】
1.403g/cm3
【Melting Point】
228-234℃
【Boiling Point】
382
【Refractive Index】
1.64
【Flash Point】
181
【Water】
1 g/100 mL (100℃)
【Solubilities】
soluble in hot water (freely soluble in acetic acid)
【Stability】
No data.
【HS Code】
29322980
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:162.14214 [g/mol]
Molecular Formula:C9H6O3
XLogP3:1.6
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:5
Exact Mass:162.031694
MonoIsotopic Mass:162.031694
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Formal Charge:0
Complexity:222
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:1
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36

Use and Manufacturing

【Usage】

A metabolite of Coumarin. The aglucon of skimmin. Present in many plants

Supplier Location

Top Suppliers

Diamond member Wuhan Fortuna Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-27-59207850
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member AOPHARM
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Nanjing Chemlin Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-83697070
Diamond member Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Hui Chem Company Limited
Country:ChinaChina
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Telephone:86-21-60542966
Capot Chemical Co., Ltd.
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Business Type:Manufacturer
Telephone:86-571-85586718
Chengdu Herbpurify CO.,LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-28-85249238
Shanghai Hope Chem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-61723543

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