Benzoate

CAT: 1489-N2690-04Size: 25 gDry Ice: NoHazardous: No

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CAT#:1489-N2690-04Size:25 g

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

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CAS Number

23405-15-4

Purity

0.96

Chemical Information

2,5-Dioxopyrrolidin-1-yl benzoate

CAS Number	23405-15-4
PubChem CID	716426
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) benzoate
Molecular Formula	C11H9NO4
Molecular Weight	219.19
XLogP	0.9
Topological Polar Surface Area	63.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	304

SMILES

C1CC(=O)N(C1=O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H9NO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

BVUOEDOMUOJKOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23405-15-4

CID: 716426

Formula: C11H9NO4

MW: 219.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.19
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	219.05315777
Monoisotopic Mass	219.05315777
Topological Polar Surface Area	63.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	304
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

Catalog	Name
N3040	Benzonase

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