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28458-37-9 | Isoxazole, 4-[2-(3,4-dihydro-2H-pyran-2-yl)ethenyl]-3,5-dimethyl-
CAS No: 28458-37-9 Catalog No: AG002VCJ MDL No:
Product Description
Catalog Number:
AG002VCJ
Chemical Name:
Isoxazole, 4-[2-(3,4-dihydro-2H-pyran-2-yl)ethenyl]-3,5-dimethyl-
CAS Number:
28458-37-9
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
4-[2-(3,4-dihydro-2H-pyran-2-yl)ethenyl]-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C12H15NO2/c1-9-12(10(2)15-13-9)7-6-11-5-3-4-8-14-11/h4,6-8,11H,3,5H2,1-2H3
InChI Key:
CARKQEPJDWDYTN-UHFFFAOYSA-N
SMILES:
Cc1onc(c1C=CC1CCC=CO1)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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