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833462-39-8 | Isoxazole, 3-(4-methylphenyl)-5-(1E)-1-propenyl-
CAS No: 833462-39-8 Catalog No: AG0055MB MDL No:
Product Description
Catalog Number:
AG0055MB
Chemical Name:
Isoxazole, 3-(4-methylphenyl)-5-(1E)-1-propenyl-
CAS Number:
833462-39-8
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
3-(4-methylphenyl)-5-prop-1-enyl-1,2-oxazole
InChI:
InChI=1S/C13H13NO/c1-3-4-12-9-13(14-15-12)11-7-5-10(2)6-8-11/h3-9H,1-2H3
InChI Key:
GYFMMZADHLQWIY-UHFFFAOYSA-N
SMILES:
C/C=C/c1onc(c1)c1ccc(cc1)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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