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2,4,5-Trimethyloxazole

CAT: 0127-OR1027025-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1027025-01Size:1 g
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CAS Number
20662-84-4
Synonyms
2,4,5-trimethyl-1,3-oxazole
Purity
98%
Smiles
CC1=C(OC(=N1)C)C

Chemical Information

2,4,5-Trimethyloxazole

Trimethyloxazole is an oxazole.

CAS Number20662-84-4
PubChem CID30215
IUPAC Name2,4,5-trimethyl-1,3-oxazole
Molecular FormulaC6H9NO
Molecular Weight111.14
XLogP1.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity84
SMILES
CC1=C(OC(=N1)C)C
InChI
InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
InChIKey
ZRLDBDZSLLGDOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trimethyloxazole
CAS: 20662-84-4
CID: 30215
Formula: C6H9NO
MW: 111.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight111.14
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass111.068413911
Monoisotopic Mass111.068413911
Topological Polar Surface Area26 Ų
Heavy Atom Count8
Formal Charge0
Complexity84.6
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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Alternative Products

CatalogName
FT356272,4,5-Trimethyloxazole
4195422,2',4,4',5,5'-Hexachlorobiphenyl
JH9200874,4,4',4',5,5,5',5'-octaethyl-2,2'-bi (1,3,2-dioxaborolane)
TRC-H265060-250MG2,2',3,4,4',5,5'-Heptachlorobiphenyl
AR-D01954-012,2',4,4',5,5'-Hexabromodiphenyl Ether
sc-3110704,4'-Dimethoxy-2,2'5,5'-tetraacetoxybiphenyl
AR-B07325-012,2',3,4,4',5,5'-heptabromobiphenyl
JH9170984--5--2-
JH2796442,2',4,5,5'-Pentachlorobiphenyl
TRC-P274438-25MG2,2',4,4',5-Pentachlorobiphenyl

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