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69528-81-0 | Isoxazole, 3-(2-propenylsulfinyl)- (9CI)
CAS No: 69528-81-0 Catalog No: AG00FTH9 MDL No:
Product Description
Catalog Number:
AG00FTH9
Chemical Name:
Isoxazole, 3-(2-propenylsulfinyl)- (9CI)
CAS Number:
69528-81-0
IUPAC Name:
3-prop-2-enylsulfinyl-1,2-oxazole
InChI:
InChI=1S/C6H7NO2S/c1-2-5-10(8)6-3-4-9-7-6/h2-4H,1,5H2
InChI Key:
RGJGFFGBVUKSEJ-UHFFFAOYSA-N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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