Anemonin

CAT: 0926-FA65773-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-FA65773-01Size:2 mg

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CAS Number

508-44-1

MDL Number

MFCD01730325

Smiles

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

Molecular Formula

C10H8O4

Molecular Weight

192.17 g/mol

Controlled

Chemical Information

Anemonin

Anemonin is a butenolide.

CAS Number	508-44-1
PubChem CID	46173847
IUPAC Name	(5S,6S)-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

C1C[C@@]2([C@@]13C=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/t9-,10-/m1/s1

InChIKey

JLUQTCXCAFSSLD-NXEZZACHSA-N

Chemical Structure

2D Structure

CAS: 508-44-1

CID: 46173847

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	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes