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108499-33-8 | Methyl 2-((furan-2-ylmethyl);thio);acetate
CAS No: 108499-33-8 Catalog No: AG003RIC MDL No:MFCD02283460
Product Description
Catalog Number:
AG003RIC
Chemical Name:
Methyl 2-((furan-2-ylmethyl);thio);acetate
CAS Number:
108499-33-8
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD02283460
IUPAC Name:
methyl 2-(furan-2-ylmethylsulfanyl)acetate
InChI:
InChI=1S/C8H10O3S/c1-10-8(9)6-12-5-7-3-2-4-11-7/h2-4H,5-6H2,1H3
InChI Key:
XPVNCXPHDABNLE-UHFFFAOYSA-N
SMILES:
COC(=O)CSCc1ccco1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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