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13608-39-4 | Isoxazole, 4,5-dihydro-3-methyl-5-(1-propenyl)-
CAS No: 13608-39-4 Catalog No: AG007MXY MDL No:
Product Description
Catalog Number:
AG007MXY
Chemical Name:
Isoxazole, 4,5-dihydro-3-methyl-5-(1-propenyl)-
CAS Number:
13608-39-4
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
3-methyl-5-prop-1-enyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C7H11NO/c1-3-4-7-5-6(2)8-9-7/h3-4,7H,5H2,1-2H3
InChI Key:
MMGPCIREDMHQTM-UHFFFAOYSA-N
SMILES:
CC=CC1ON=C(C1)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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