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2,5-Dimethylbenzoxazole

CAT: 0013-GTR19254663-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254663-01Size:50 mg
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Description
2,5-Dimethylbenzoxazole is a heterocyclic compound containing a benzene ring and an oxazole ring, widely used in biochemical experiments and drug synthesis research.
CAS Number
5676-58-4
Smiles
N=1C=2C=C (C=CC2OC1C) C
Molecular Formula
C9H9NO
Molecular Weight
147.17
Storage Conditions
Store at 4°C
Notes
For research use only.

Chemical Information

2,5-Dimethylbenzoxazole
CAS Number5676-58-4
PubChem CID21884
IUPAC Name2,5-dimethyl-1,3-benzoxazole
Molecular FormulaC9H9NO
Molecular Weight147.17
XLogP2.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity148
SMILES
CC1=CC2=C(C=C1)OC(=N2)C
InChI
InChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3
InChIKey
XVQGFGKAPKEUFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethylbenzoxazole
CAS: 5676-58-4
CID: 21884
Formula: C9H9NO
MW: 147.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.17
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass147.068413911
Monoisotopic Mass147.068413911
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity148
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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