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93962-58-4 | 3-ALLYL-2-THIOXOOXAZOLIDIN-4-ONE
CAS No: 93962-58-4 Catalog No: AG00H74K MDL No:
Product Description
Catalog Number:
AG00H74K
Chemical Name:
3-ALLYL-2-THIOXOOXAZOLIDIN-4-ONE
CAS Number:
93962-58-4
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
IUPAC Name:
3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one
InChI:
InChI=1S/C6H7NO2S/c1-2-3-7-5(8)4-9-6(7)10/h2H,1,3-4H2
InChI Key:
JXKVDYIOQSBMQG-UHFFFAOYSA-N
SMILES:
C=CCN1C(=S)OCC1=O
EC Number:
300-694-8
Properties
Complexity:
190
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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