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668970-91-0 | 4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE
CAS No: 668970-91-0 Catalog No: AG00FE5T MDL No:MFCD08703589
Product Description
Catalog Number:
AG00FE5T
Chemical Name:
4-ETHYNYL-3,5-DIMETHYL-ISOXAZOLE
CAS Number:
668970-91-0
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD08703589
IUPAC Name:
4-ethynyl-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C7H7NO/c1-4-7-5(2)8-9-6(7)3/h1H,2-3H3
InChI Key:
VRIFFHHNSRUZNX-UHFFFAOYSA-N
SMILES:
C#Cc1c(C)noc1C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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