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138754-12-8 | Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]thio]-
CAS No: 138754-12-8 Catalog No: AG0019GL MDL No:
Product Description
Catalog Number:
AG0019GL
Chemical Name:
Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]thio]-
CAS Number:
138754-12-8
Molecular Formula:
C8H14O4S
Molecular Weight:
206.2594
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]propanoic acid
InChI:
InChI=1S/C8H14O4S/c1-8(2,3)12-7(11)13-5-4-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChI Key:
AYJHPQINPLGEMZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)SCCC(=O)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.256g/mol
Monoisotopic Mass:
206.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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