9-Acetylphenanthrene

CAT: 0286-A09610-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0286-A09610-02Size:25 g

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CAS Number

784-04-3

Synonyms

9-Acetyl-p-naphthalene; 9-Anthryl methyl ketone

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00001176

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

9-Acetylanthracene

CAS Number	784-04-3
PubChem CID	69911
IUPAC Name	1-anthracen-9-ylethanone
Molecular Formula	C16H12O
Molecular Weight	220.26
XLogP	4.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	274

SMILES

CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3

InChIKey

NXXNVJDXUHMAHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 784-04-3

CID: 69911

Formula: C16H12O

MW: 220.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	220.26
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	220.088815002
Monoisotopic Mass	220.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	274
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

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9-Acetylphenanthrene

Chemical Information

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