9-Hydroxy-1,8-naphthalide

CAT: 0024-sc-337459Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-337459Size:100 mg

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CAS Number

5656-90-6

Chemical Information

1H,3H-Naphtho[1,8-cd]pyran-1-one, 3-hydroxy-

CAS Number	5656-90-6
PubChem CID	99733
IUPAC Name	4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one
Molecular Formula	C12H8O3
Molecular Weight	200.19
XLogP	2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	276

SMILES

C1=CC2=C3C(=C1)C(OC(=O)C3=CC=C2)O

InChI

InChI=1S/C12H8O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6,11,13H

InChIKey

IKHBRFXMNHCNDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5656-90-6

CID: 99733

Formula: C12H8O3

MW: 200.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.19
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	200.047344113
Monoisotopic Mass	200.047344113
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	276
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-268446	8-hydroxy-1,1,7,7-tetramethyljulolidine-9-carboxaldehyde
sc-334250	1,8,9-Trihydroxyanthracene
sc-358354A	Methyl 8-hydroxy-1-naphthoate
sc-358354	Methyl 8-hydroxy-1-naphthoate
sc-352984A	8-Hydroxy-1-naphthalenesulfonic acid
sc-352984	8-Hydroxy-1-naphthalenesulfonic acid
sc-490468	9-Hydroxy Benzopyrene
sc-233735	9-Hydroxy-9-fluorenecarboxylic acid
sc-214420	8-Hydroxy Ondansetron
sc-207202	8-Hydroxy Mirtazapine

Catalog	Name
B03360-01	Benzo-1-naphthalide
JH913006	Sodium naphthalide
TBZ0439	9α-Hydroxy-8β-isovalerianyloxycalyculatolide
OR1073837-01	1-Hydroxy-8-methoxyanthracene-9,10-dione
XCA17028	8-Hydroxy-9,10-dihydroergotamine
XAA51808-01	8-Hydroxy-9,10-diisobutyryloxythymol
379061	3-Hydroxy-8,9-methylenedioxypterocarpene
TN6579	9-Hydroxy-O-senecioyl-8,9-dihydrooroselol
AP KR 0331-01	8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
JH73005	8-Hydroxy-1,1,7,7-tetramethyljulolidine-9-carboxaldehyde