7-Hydroxy-3-phenyl coumarin

CAT: 0127-OR345588-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR345588-01Size:100 mg

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CAS Number

6468-96-8

MDL Number

MFCD00037574

Purity

98%

Smiles

Oc1ccc2C=C(C(=O)Oc2c1)c3ccccc3

Chemical Information

7-hydroxy-3-phenyl-2H-chromen-2-one

CAS Number	6468-96-8
PubChem CID	5393176
IUPAC Name	7-hydroxy-3-phenylchromen-2-one
Molecular Formula	C15H10O3
Molecular Weight	238.24
XLogP	3.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	355

SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O

InChI

InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H

InChIKey

RIPZCQZTVDNJHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6468-96-8

CID: 5393176

Formula: C15H10O3

MW: 238.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.24
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	238.062994177
Monoisotopic Mass	238.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	355
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
Compound Is Canonicalized	Yes

Catalog	Name
PC5889-01	7-Hydroxy-4-[3- (trifluoromethyl) phenyl]coumarin
OR351297	7-Hydroxy-3- (2'-methoxyphenyl) coumarin
OR351061-01	7-Hydroxy-3- (4'-methoxyphenyl) coumarin
OR345585	6-Hydroxy-4-methyl-3-phenyl coumarin
OR9546-01	7-Hydroxy-4- (methoxymethyl) coumarin
PC4866-01	7-Hydroxy-4- (trifluoromethyl) coumarin
OR5886-01	7-Hydroxy-4- (pyridin-3-yl) coumarin
OR315194-01	7-Hydroxy-4- (4-pyridyl) coumarin
BUP14561	Coumarin 7
PC1931C	6-chloro-7-hydroxy-4- (trifluoromethyl) coumarin

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