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13643-96-4 | 2H-Thiopyran-3-carboxaldehyde, 5,6-dihydro-2,6-dimethyl-
CAS No: 13643-96-4 Catalog No: AG0070YO MDL No:
Product Description
Catalog Number:
AG0070YO
Chemical Name:
2H-Thiopyran-3-carboxaldehyde, 5,6-dihydro-2,6-dimethyl-
CAS Number:
13643-96-4
Molecular Formula:
C8H12OS
Molecular Weight:
156.2453
IUPAC Name:
2,6-dimethyl-3,6-dihydro-2H-thiopyran-5-carbaldehyde
InChI:
InChI=1S/C8H12OS/c1-6-3-4-8(5-9)7(2)10-6/h4-7H,3H2,1-2H3
InChI Key:
OVGLVUDQBOCQPR-UHFFFAOYSA-N
SMILES:
CC1SC(C)CC=C1C=O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.243g/mol
Monoisotopic Mass:
156.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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