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14711-62-7 | Acetic acid, tetrahydro-2H-thiopyran-2-yl ester
CAS No: 14711-62-7 Catalog No: AG001EMB MDL No:MFCD07367590
Product Description
Catalog Number:
AG001EMB
Chemical Name:
Acetic acid, tetrahydro-2H-thiopyran-2-yl ester
CAS Number:
14711-62-7
Molecular Formula:
C7H12O2S
Molecular Weight:
160.2340
MDL Number:
MFCD07367590
IUPAC Name:
thian-2-yl acetate
InChI:
InChI=1S/C7H12O2S/c1-6(8)9-7-4-2-3-5-10-7/h7H,2-5H2,1H3
InChI Key:
MFLYPOULZJHAIE-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CCCCS1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.231g/mol
Monoisotopic Mass:
160.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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