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52763-54-9 | Methyl 2-(butan-2-ylsulfanyl)acetate
CAS No: 52763-54-9 Catalog No: AG01FDNW MDL No:MFCD11184344
Product Description
Catalog Number:
AG01FDNW
Chemical Name:
Methyl 2-(butan-2-ylsulfanyl)acetate
CAS Number:
52763-54-9
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
MDL Number:
MFCD11184344
IUPAC Name:
methyl 2-butan-2-ylsulfanylacetate
InChI:
InChI=1S/C7H14O2S/c1-4-6(2)10-5-7(8)9-3/h6H,4-5H2,1-3H3
InChI Key:
NTKUOPJPFSYINJ-UHFFFAOYSA-N
SMILES:
CCC(SCC(=O)OC)C
Properties
Complexity:
104
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:
0
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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