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83413-93-8 | 2,2-DIMETHYL-TETRAHYDROTHIOPHENE-3-CARBOXALDEHYDE
CAS No: 83413-93-8 Catalog No: AG01DWP5 MDL No:MFCD07437930
Product Description
Catalog Number:
AG01DWP5
Chemical Name:
2,2-DIMETHYL-TETRAHYDROTHIOPHENE-3-CARBOXALDEHYDE
CAS Number:
83413-93-8
Molecular Formula:
C7H12OS
Molecular Weight:
144.2346
MDL Number:
MFCD07437930
IUPAC Name:
2,2-dimethylthiolane-3-carbaldehyde
InChI:
InChI=1S/C7H12OS/c1-7(2)6(5-8)3-4-9-7/h5-6H,3-4H2,1-2H3
InChI Key:
MTBZAAPXOYEIAE-UHFFFAOYSA-N
SMILES:
O=CC1CCSC1(C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.061g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.232g/mol
Monoisotopic Mass:
144.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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