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114539-83-2 | Propanoic acid, 2-[[2-(4,5-dihydro-2-oxazolyl)propyl]thio]-
CAS No: 114539-83-2 Catalog No: AG000ENM MDL No:
Product Description
Catalog Number:
AG000ENM
Chemical Name:
Propanoic acid, 2-[[2-(4,5-dihydro-2-oxazolyl)propyl]thio]-
CAS Number:
114539-83-2
Molecular Formula:
C9H15NO3S
Molecular Weight:
217.2853
IUPAC Name:
2-[2-(4,5-dihydro-1,3-oxazol-2-yl)propylsulfanyl]propanoic acid
InChI:
InChI=1S/C9H15NO3S/c1-6(8-10-3-4-13-8)5-14-7(2)9(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChI Key:
ZRANXMCSQOPYJD-UHFFFAOYSA-N
SMILES:
OC(=O)C(SCC(C1=NCCO1)C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.283g/mol
Monoisotopic Mass:
217.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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