Chorismeron

CAT: 0013-GTR19228487-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19228487-02Size:2 mg

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Description

Chorismeron

CAS Number

2009356-92-5

Smiles

COC (=O) c1cccc (OC (=C) C (O) =O) c1

Molecular Formula

C11H10O5

Molecular Weight

222.196

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Chorismeron

Chorismeron is a monocarboxylic acid.

CAS Number	2009356-92-5
PubChem CID	132546247
IUPAC Name	2-(3-methoxycarbonylphenoxy)prop-2-enoic acid
Molecular Formula	C11H10O5
Molecular Weight	222.19
XLogP	2
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	297

SMILES

COC(=O)C1=CC(=CC=C1)OC(=C)C(=O)O

InChI

InChI=1S/C11H10O5/c1-7(10(12)13)16-9-5-3-4-8(6-9)11(14)15-2/h3-6H,1H2,2H3,(H,12,13)

InChIKey

DRIONLYHLHLYGJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2009356-92-5

CID: 132546247

Formula: C11H10O5

MW: 222.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.19
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	222.05282342
Monoisotopic Mass	222.05282342
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	297
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
T125415-01	Chorismeron