Pogostol

CAT: 0926-WAA69841-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-WAA69841-02Size:10 mg

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

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CAS Number

21698-41-9

Smiles

CC1CCC2C1CC (CCC2 (C) O) C (=C) C

Molecular Formula

C15H26O

Molecular Weight

222.37 g/mol

Controlled

Chemical Information

(-)-Pogostol

CAS Number	21698-41-9
PubChem CID	101574754
IUPAC Name	(1R,3aS,4R,7S,8aR)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
Molecular Formula	C15H26O
Molecular Weight	222.37
XLogP	4.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	283

SMILES

C[C@@H]1CC[C@H]2[C@@H]1C[C@H](CC[C@@]2(C)O)C(=C)C

InChI

InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)13(14)9-12/h11-14,16H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15-/m1/s1

InChIKey

VYOZKWKETGHHDW-QKGCVVFFSA-N

Chemical Structure

2D Structure

CAS: 21698-41-9

CID: 101574754

Formula: C15H26O

MW: 222.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.37
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	222.198365449
Monoisotopic Mass	222.198365449
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	283
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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
FP45128-01	Pogostone

Catalog	Name
P681030	Pogostol
462764-01	Pogostol discontinued