8-Acetyl-7-hydroxycoumarin

CAT: 0127-OR345001-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR345001-01Size:250 mg

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CAS Number

6748-68-1

MDL Number

MFCD00270162

Purity

97%

Smiles

CC(=O)c1c(O)ccc2C=CC(=O)Oc12

Chemical Information

8-Acetyl-7-hydroxycoumarin

8-Acetyl-7-hydroxycoumarin has been reported in Asteraceae with data available.

CAS Number	6748-68-1
PubChem CID	5411574
IUPAC Name	8-acetyl-7-hydroxychromen-2-one
Molecular Formula	C11H8O4
Molecular Weight	204.18
XLogP	1.8
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	321

SMILES

CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)O

InChI

InChI=1S/C11H8O4/c1-6(12)10-8(13)4-2-7-3-5-9(14)15-11(7)10/h2-5,13H,1H3

InChIKey

XWYMACPLPPQCHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6748-68-1

CID: 5411574

Formula: C11H8O4

MW: 204.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.18
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	204.04225873
Monoisotopic Mass	204.04225873
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	321
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
OR370035-01	8-Hydroxycoumarin
OR14329-01	7-Hydroxycoumarin
OR370038-01	5-Methyl-8-hydroxycoumarin
BUP11436-01	3-Cyano-7-hydroxycoumarin
OR351240	6-Chloro-7-hydroxycoumarin
OR16598	Potassium 7-hydroxycoumarin sulphate
OR932753-01	3-Azido-7-hydroxycoumarin
OR351001-01	3-Cyano-7-hydroxycoumarin
OR8056-01	4- (Chloromethyl) -7-hydroxycoumarin
OR1458-01	(7-Hydroxycoumarin-4-yl) acetic acid

Catalog	Name
MBS3611297-01	8-Acetyl-7-Hydroxycoumarin
T204953-01	3-Acetyl-7-Hydroxycoumarin
T125251-01	8-Geranyl-7-hydroxycoumarin
FA74306-01	3-Acetyl-5-hydroxymethyl-7-hydroxycoumarin
278655-01	7-Hydroxycoumarin
A9021-100	8-Hydroxycoumarin
423623-01	3-Acetyl-4-hydroxycoumarin