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4160-61-6 | Methyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate
CAS No: 4160-61-6 Catalog No: AG0039RT MDL No:MFCD00203485
Product Description
Catalog Number:
AG0039RT
Chemical Name:
Methyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate
CAS Number:
4160-61-6
Molecular Formula:
C7H10O3S
Molecular Weight:
174.2175
MDL Number:
MFCD00203485
IUPAC Name:
methyl 4-oxothiane-3-carboxylate
InChI:
InChI=1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
InChI Key:
MCUXKFHPGMEIIW-UHFFFAOYSA-N
SMILES:
COC(=O)C1CSCCC1=O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.214g/mol
Monoisotopic Mass:
174.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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