γ-Thujaplicin

CAT: 1299-RG-E141098-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E141098-02Size:25 mg

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CAS Number

672-76-4

Synonyms

2-hydroxy-5-isopropylcyclohepta-2,4,6-trien-1-one

Molecular Formula

C10H12O2

Molecular Weight

164.2

Target Alternative Name

Thujaplicin

Product Name Synonym

2-hydroxy-5-isopropylcyclohepta-2,4,6-trien-1-one

Chemical Information

Gamma-Thujaplicin

Gamma-Thujaplicin is a cyclic ketone.

CAS Number	672-76-4
PubChem CID	12649
IUPAC Name	2-hydroxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
Molecular Formula	C10H12O2
Molecular Weight	164.20
XLogP	1.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	280

SMILES

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

InChI

InChI=1S/C10H12O2/c1-7(2)8-3-5-9(11)10(12)6-4-8/h3-7H,1-2H3,(H,11,12)

InChIKey

WKEWHSLZDDZONF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 672-76-4

CID: 12649

Formula: C10H12O2

MW: 164.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	280
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
RG-E141099-01	α-Thujaplicinol