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JP-2

CAT: 0013-GTR19181891Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181891Size:5 mg
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Description
JP-2
CAS Number
60263-06-1
Field of Research
Cell Biology
Smiles
CCOC (=O) CC1 (O) C=CC (=O) C=C1
Molecular Formula
C10H12O4
Molecular Weight
196.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
CAS Number60263-06-1
PubChem CID100323
IUPAC Nameethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP0.6
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity285
SMILES
CCOC(=O)CC1(C=CC(=O)C=C1)O
InChI
InChI=1S/C10H12O4/c1-2-14-9(12)7-10(13)5-3-8(11)4-6-10/h3-6,13H,2,7H2,1H3
InChIKey
PCTPJULDTWCNKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate
CAS: 60263-06-1
CID: 100323
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area63.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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