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40814-20-8 | Methyl (heptylthio)acetate
CAS No: 40814-20-8 Catalog No: AG01FFHB MDL No:MFCD26958721
Product Description
Catalog Number:
AG01FFHB
Chemical Name:
Methyl (heptylthio)acetate
CAS Number:
40814-20-8
Molecular Formula:
C10H20O2S
Molecular Weight:
204.3296
MDL Number:
MFCD26958721
IUPAC Name:
methyl 2-heptylsulfanylacetate
InChI:
InChI=1S/C10H20O2S/c1-3-4-5-6-7-8-13-9-10(11)12-2/h3-9H2,1-2H3
InChI Key:
HTPKHJAVGQDPEF-UHFFFAOYSA-N
SMILES:
CCCCCCCSCC(=O)OC
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.118g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.328g/mol
Monoisotopic Mass:
204.118g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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