Tropone

CAT: 0127-OR1024616-03Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1024616-03Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

539-80-0

Synonyms

Cyclohepta-2,4,6-trien-1-one

Purity

99%

Smiles

C1=CC=CC(=O)C=C1

Chemical Information

Tropone

CAS Number	539-80-0
PubChem CID	10881
IUPAC Name	cyclohepta-2,4,6-trien-1-one
Molecular Formula	C7H6O
Molecular Weight	106.12
XLogP	1.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	155

SMILES

C1=CC=CC(=O)C=C1

InChI

InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H

InChIKey

QVWDCTQRORVHHT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 539-80-0

CID: 10881

Formula: C7H6O

MW: 106.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	106.12
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	106.041864811
Monoisotopic Mass	106.041864811
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	155
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
OR22908-01	Tropine
BUP16932	Tropine
BUP16645	Tropinone
OR906152-01	Tropolone
BUP16496	Tropolone
OR944399	Tropine-3-thiol hydrochloride
OR018323-01	Tropinone oxime hydrochloride
BITP1674-01	Recombinant Human Cardiac Troponin-C
BITP1677-01	Rabbit Skeletal Muscle Troponin-C
BITP1675-01	Recombinant Human Cardiac Troponin-I

Catalog	Name
T78503-01	Tropone
HY-W035904R	Tropone (Standard)