4-Acetyl-1-naphthol

CAT: 0127-OR1053864-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1053864-01Size:250 mg

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CAS Number

3669-52-1

MDL Number

MFCD00100999

Purity

95%

Smiles

CC(C1=C2C=CC=CC2=C(O)C=C1)=O

Chemical Information

1-(4-Hydroxynaphthalen-1-yl)ethan-1-one

CAS Number	3669-52-1
PubChem CID	300722
IUPAC Name	1-(4-hydroxynaphthalen-1-yl)ethanone
Molecular Formula	C12H10O2
Molecular Weight	186.21
XLogP	3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	224

SMILES

CC(=O)C1=CC=C(C2=CC=CC=C21)O

InChI

InChI=1S/C12H10O2/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-7,14H,1H3

InChIKey

SAPGSAHOBOEJDV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3669-52-1

CID: 300722

Formula: C12H10O2

MW: 186.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.21
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	186.068079557
Monoisotopic Mass	186.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224
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
DAA66952-01	4-Acetyl-1-naphthol
HY-W095147-01	2-Acetyl-1-naphthol
HY-W007967-01	4-Chloro-1-naphthol
sc-277576	4-Nitro-1-naphthol
sc-232807	4-Methoxy-1-naphthol
FN32395-01	4- (4-Nitrophenylazo) -1-naphthol
114110 500	1-Naphthol for Synthesis (a-Naphthol)
FN149871-01	1-Naphthol-4-sulfonic acid
sc-225663	2,4-Dichloro-1-naphthol
C15400-01	4-Chloro-1-naphthol 97%