Tetrenolin

CAT: 0926-HFA07482-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-HFA07482-02Size:10 mg

Selected

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

Quick Request Actions

CAS Number

132074-82-9

Smiles

CC (C) (C) OC (=O) NC (C1=C (C=CC=C1Cl) Cl) C (=O) O

Molecular Formula

C11H12O4

Molecular Weight

208.21 g/mol

Controlled

Chemical Information

Lissoclinolide

Lissoclinolide has been reported in Lissoclinum patella, Diplosoma virens, and Lissoclinum with data available.

CAS Number	132074-82-9
PubChem CID	5472800
IUPAC Name	(5Z)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(E)-3-hydroxyprop-1-enyl]furan-2-one
Molecular Formula	C11H12O4
Molecular Weight	208.21
XLogP	0.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	348

SMILES

C\1=C(C(=O)O/C1=C\C=C\CO)/C=C/CO

InChI

InChI=1S/C11H12O4/c12-6-2-1-5-10-8-9(4-3-7-13)11(14)15-10/h1-5,8,12-13H,6-7H2/b2-1+,4-3+,10-5-

InChIKey

ZYNGLDJNLYFSIV-CZFMBXACSA-N

Chemical Structure

2D Structure

CAS: 132074-82-9

CID: 5472800

Formula: C11H12O4

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	208.07355886
Monoisotopic Mass	208.07355886
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	348
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AEA34343	Tetraxolin