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5,7-Dihydroxy 4-methylcoumarin

CAT: 0572-TRC-D449171-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D449171-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2107-76-8
Synonyms
2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl-; Coumarin, 5,7-dihydroxy-4-methyl- (7CI,8CI); 4-Methyl-5,7-dihydroxycoumarin; 5,7-Dihydroxy-4-methyl-chromen-2-one; 5,7-Dihydroxy-4-methylcoumarin; NSC 5302
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC1=CC(=O)Oc2cc(O)cc(O)c12
Molecular Formula
C10 H8 O4
Molecular Weight
192.17
InChI
InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
Additionnal Information
IUPAC name: 5,7-dihydroxy-4-methylchromen-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5,7-Dihydroxy-4-methylcoumarin

5,7-Dihydroxy-4-methylcoumarin is a hydroxycoumarin.

CAS Number2107-76-8
PubChem CID5354284
IUPAC Name5,7-dihydroxy-4-methylchromen-2-one
Molecular FormulaC10H8O4
Molecular Weight192.17
XLogP1.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity284
SMILES
CC1=CC(=O)OC2=CC(=CC(=C12)O)O
InChI
InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
InChIKey
QNVWGEJMXOQQPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dihydroxy-4-methylcoumarin
CAS: 2107-76-8
CID: 5354284
Formula: C10H8O4
MW: 192.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.17
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass192.04225873
Monoisotopic Mass192.04225873
Topological Polar Surface Area66.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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