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59854-14-7 | Propanoic acid, 3-Mercapto-, 1,1-diMethylethyl ester
CAS No: 59854-14-7 Catalog No: AG00F2FH MDL No:MFCD28246452
Product Description
Catalog Number:
AG00F2FH
Chemical Name:
Propanoic acid, 3-Mercapto-, 1,1-diMethylethyl ester
CAS Number:
59854-14-7
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
MDL Number:
MFCD28246452
IUPAC Name:
tert-butyl 3-sulfanylpropanoate
InChI:
InChI=1S/C7H14O2S/c1-7(2,3)9-6(8)4-5-10/h10H,4-5H2,1-3H3
InChI Key:
LZNOWAWVWWPHES-UHFFFAOYSA-N
SMILES:
SCCC(=O)OC(C)(C)C
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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