Dolichovespulide

CAT: 0013-GTR19260165-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19260165-03Size:100 mg

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Description

Dolichovespulide

CAS Number

2368827-42-1

Purity

>98% (HPLC)

Molecular Formula

C15H20O5

Molecular Weight

280.3

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Dolichovespulide

CAS Number	2368827-42-1
PubChem CID	177927920
IUPAC Name	(2E,6E)-9-(2-hydroxy-5-oxo-2H-furan-3-yl)-2,6-dimethylnona-2,6-dienoic acid
Molecular Formula	C15H20O5
Molecular Weight	280.32
XLogP	2
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	471

SMILES

C/C(=C\CCC1=CC(=O)OC1O)/CC/C=C(\C)/C(=O)O

InChI

InChI=1S/C15H20O5/c1-10(5-3-7-11(2)14(17)18)6-4-8-12-9-13(16)20-15(12)19/h6-7,9,15,19H,3-5,8H2,1-2H3,(H,17,18)/b10-6+,11-7+

InChIKey

YJBDONBQDZQXCM-JMQWPVDRSA-N

Chemical Structure

2D Structure

CAS: 2368827-42-1

CID: 177927920

Formula: C15H20O5

MW: 280.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.32
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	280.13107373
Monoisotopic Mass	280.13107373
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	471
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
M39220-01	Dolichovespulide