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JCP174

CAT: 0013-GTR19199111-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199111-07Size:100 mg
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Description
JCP174
CAS Number
126062-19-9
Product Name Alternative
JCP174, JCP-174, JCP 174, Elastase, SerineProtease, Serine Protease
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Purity
97.05% (May vary between batches)
Solubility
DMSO:22.5 mg/mL (88.69 mM)
Smiles
CCCOc1oc (=O) c2cc (N) ccc2c1Cl
Molecular Formula
C12H12ClNO3
Molecular Weight
253.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one
CAS Number126062-19-9
PubChem CID15022011
IUPAC Name7-amino-4-chloro-3-propoxyisochromen-1-one
Molecular FormulaC12H12ClNO3
Molecular Weight253.68
XLogP2.6
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity343
SMILES
CCCOC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl
InChI
InChI=1S/C12H12ClNO3/c1-2-5-16-12-10(13)8-4-3-7(14)6-9(8)11(15)17-12/h3-4,6H,2,5,14H2,1H3
InChIKey
MDOWUFTZOHGGHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Amino-4-chloro-3-propoxy-1H-isochromen-1-one
CAS: 126062-19-9
CID: 15022011
Formula: C12H12ClNO3
MW: 253.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.68
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass253.0505709
Monoisotopic Mass253.0505709
Topological Polar Surface Area61.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity343
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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