Anemonin

CAT: 1407-AB2008Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1407-AB2008Size:5 mg

Selected

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

Quick Request Actions

CAS Number

90921-11-2

Purity

98% (HPLC)

Molecular Formula

C10H8O4

Molecular Weight

192.17

Chemical Information

1,7-Dioxadispiro(4.0.4.2)dodeca-3,9-diene-2,8-dione

See also: Anemonin (annotation moved to).

CAS Number	90921-11-2
PubChem CID	10496
IUPAC Name	4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
Molecular Formula	C10H8O4
Molecular Weight	192.17
XLogP	0.4
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	357

SMILES

C1CC2(C13C=CC(=O)O3)C=CC(=O)O2

InChI

InChI=1S/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2

InChIKey

JLUQTCXCAFSSLD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90921-11-2

CID: 10496

Formula: C10H8O4

MW: 192.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.17
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	192.04225873
Monoisotopic Mass	192.04225873
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	357
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes