Anisindione 50mg

CAT: 0628-A17353-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A17353-50Size:50 mg

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

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CAS Number

117-37-3

Chemical Information

Anisindione

Anisindione can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	117-37-3
PubChem CID	2197
IUPAC Name	2-(4-methoxyphenyl)indene-1,3-dione
Molecular Formula	C16H12O3
Molecular Weight	252.26
XLogP	2.9
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	344

SMILES

COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3

InChIKey

XRCFXMGQEVUZFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117-37-3

CID: 2197

Formula: C16H12O3

MW: 252.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.26
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	252.078644241
Monoisotopic Mass	252.078644241
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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