Suspensolide

CAT: 0926-LEA35108-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LEA35108-02Size:50 mg

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

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CAS Number

111351-08-7

Smiles

CC1=CCC (=O) OCC=C (CCC1) C

Molecular Formula

C12H18O2

Molecular Weight

194.27 g/mol

Controlled

Chemical Information

(4Z,9Z)-5,9-dimethyl-1-oxacycloundeca-4,9-dien-2-one

Suspensolide is an organic molecular entity.

CAS Number	111351-08-7
PubChem CID	13988387
IUPAC Name	(4Z,9Z)-5,9-dimethyl-1-oxacycloundeca-4,9-dien-2-one
Molecular Formula	C12H18O2
Molecular Weight	194.27
XLogP	2.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	261

SMILES

C/C/1=C/CC(=O)OC/C=C(\CCC1)/C

InChI

InChI=1S/C12H18O2/c1-10-4-3-5-11(2)8-9-14-12(13)7-6-10/h6,8H,3-5,7,9H2,1-2H3/b10-6-,11-8-

InChIKey

RVKDTQISXMBQEU-XNFNPUBGSA-N

Chemical Structure

2D Structure

CAS: 111351-08-7

CID: 13988387

Formula: C12H18O2

MW: 194.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.27
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	194.130679813
Monoisotopic Mass	194.130679813
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	261
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-S841500-25MG	Suspensolide