2'-Methoxy-1'-acetonaphthone

CAT: 0127-OR55564-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR55564-01Size:1 g

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CAS Number

5672-94-6

Synonyms

1-Acetyl-2-methoxynaphthalene, 1- (2-Methoxynaphthalen-1-yl) ethanone

MDL Number

MFCD11553477

Purity

99%

Smiles

COc1ccc2ccccc2c1C(=O)C

Chemical Information

2'-Methoxy-1'-acetonaphthone

CAS Number	5672-94-6
PubChem CID	458194
IUPAC Name	1-(2-methoxynaphthalen-1-yl)ethanone
Molecular Formula	C13H12O2
Molecular Weight	200.23
XLogP	2.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	237

SMILES

CC(=O)C1=C(C=CC2=CC=CC=C21)OC

InChI

InChI=1S/C13H12O2/c1-9(14)13-11-6-4-3-5-10(11)7-8-12(13)15-2/h3-8H,1-2H3

InChIKey

WFBBDKXOGOJOKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5672-94-6

CID: 458194

Formula: C13H12O2

MW: 200.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.23
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	200.083729621
Monoisotopic Mass	200.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
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
OR28862-01	6'-Methoxy-2'-acetonaphthone
BUP19786	2-Acetonaphthone
OR9969-01	2'-Acetonaphthone
OR1123-01	1-Hydroxy-2-acetonaphthone
OR015967	2'-Hydroxy-1'-acetonaphthone
OR3521-01	1'-Acetonaphthone
PC6383	2-Bromo-4'-fluoro-1'-acetonaphthone
OR923390-01	4-Methyl-1-acetonaphthone
PC9950-01	4'-Fluoro-1'-acetonaphthone
OR1081667-01	2-Methoxy-1- (4-methoxy-2-methylphenyl) ethanone

Catalog	Name
IM25222-01	6'-Methoxy-2'-acetonaphthone
HY-Y0235R-01	6'-Methoxy-2'-acetonaphthone (Standard)
HY-Y1819-01	2-Acetonaphthone
016126	6'-Methoxy-2'-acetonaphthone (Naproxen Impurity L)
Fr12556	2'-Hydroxy-1'-acetonaphthone
sc-223134	1'-Hydroxy-2'-acetonaphthone
07145-52	2'-Acetonaphthone
FH70887-01	1-Hydroxy-2-acetonaphthone
sc-237455	1-Acetonaphthone
H09145-01	1-Hydroxy-2-acetonaphthone 99%