Phenanthrenequinone

CAT: 0926-FP01747-01Size: 0.5 KgDry Ice: NoHazardous: No

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CAT#:0926-FP01747-01Size:0.5 Kg

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CAS Number

84-11-7

MDL Number

MFCD00001163

Smiles

C1=CC=C2C (=C1) C3=CC=CC=C3C (=O) C2=O

Molecular Formula

C14H8O2

Molecular Weight

208.22 g/mol

Controlled

Chemical Information

9,10-Phenanthrenedione

9,10-phenanthroquinone is a member of phenanthrenes.

CAS Number	84-11-7
PubChem CID	6763
IUPAC Name	phenanthrene-9,10-dione
Molecular Formula	C14H8O2
Molecular Weight	208.21
XLogP	2.5
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	289

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O

InChI

InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

InChIKey

YYVYAPXYZVYDHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84-11-7

CID: 6763

Formula: C14H8O2

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	208.052429494
Monoisotopic Mass	208.052429494
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	289
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
P06310-01	Phenanthrenequinone
TRC-P295060-1G	9,10-Phenanthrenequinone
235014-01	9,10-Phenanthrenequinone 98+%
sc-483213	3,6-Dibromo-phenanthrenequinone
605995-01	9,10- Phenanthrenequinone AR 99.0%