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CAT: 0127-BUP12106-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12106-02Size:10 mg
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CAS Number
1011-51-4
Synonyms
5- (4'-Methoxyphenyl) -oxazole
Purity
=98%
Smiles
O(C)C1=CC=C(C=C1)C2=CN=CO2

Chemical Information

5-(4-Methoxyphenyl)-1,3-oxazole
CAS Number1011-51-4
PubChem CID3270828
IUPAC Name5-(4-methoxyphenyl)-1,3-oxazole
Molecular FormulaC10H9NO2
Molecular Weight175.18
XLogP2
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity155
SMILES
COC1=CC=C(C=C1)C2=CN=CO2
InChI
InChI=1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-11-7-13-10/h2-7H,1H3
InChIKey
WWTDBJIWQKDBSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Methoxyphenyl)-1,3-oxazole
CAS: 1011-51-4
CID: 3270828
Formula: C10H9NO2
MW: 175.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass175.063328530
Monoisotopic Mass175.063328530
Topological Polar Surface Area35.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity155
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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