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Crocatone

CAT: 0931-T125426-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125426-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19937-86-1
Target
Others
Related Pathways
Others
Bioactivity
Crocatone is a useful organic compound for research related to life sciences. The catalog number is T125426 and the CAS number is 19937-86-1.
Smiles
CCC(=O)c1cc2OCOc2c(OC)c1
Molecular Formula
C11H12O4
Molecular Weight
208.213
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Propanone, 1-(7-methoxy-1,3-benzodioxol-5-yl)-

3,4-Dioxymethylene-5-methoxy-1-(1-oxopropyl)benzene is a member of benzodioxoles.

CAS Number19937-86-1
PubChem CID177099
IUPAC Name1-(7-methoxy-1,3-benzodioxol-5-yl)propan-1-one
Molecular FormulaC11H12O4
Molecular Weight208.21
XLogP1.9
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity241
SMILES
CCC(=O)C1=CC2=C(C(=C1)OC)OCO2
InChI
InChI=1S/C11H12O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h4-5H,3,6H2,1-2H3
InChIKey
VQZAATPWXSLYBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Propanone, 1-(7-methoxy-1,3-benzodioxol-5-yl)-
CAS: 19937-86-1
CID: 177099
Formula: C11H12O4
MW: 208.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.21
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass208.07355886
Monoisotopic Mass208.07355886
Topological Polar Surface Area44.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity241
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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CatalogName
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