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141089-93-2 | Propanoic acid, 2-[(2-oxopropyl)thio]-, ethyl ester, (R)- (9CI)
CAS No: 141089-93-2 Catalog No: AG001FW3 MDL No:
Product Description
Catalog Number:
AG001FW3
Chemical Name:
Propanoic acid, 2-[(2-oxopropyl)thio]-, ethyl ester, (R)- (9CI)
CAS Number:
141089-93-2
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
IUPAC Name:
ethyl (2R)-2-(2-oxopropylsulfanyl)propanoate
InChI:
InChI=1S/C8H14O3S/c1-4-11-8(10)7(3)12-5-6(2)9/h7H,4-5H2,1-3H3/t7-/m1/s1
InChI Key:
FBMPDHSGKGXRCE-SSDOTTSWSA-N
SMILES:
CCOC(=O)[C@H](SCC(=O)C)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.257g/mol
Monoisotopic Mass:
190.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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