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Home > Aldehydes > 1780259-87-1
1780259-87-1 | 3-methyl-1,1-dioxo-1lambda6-thiolane-3-carbaldehyde
CAS No: 1780259-87-1 Catalog No: AG01EMCG MDL No:MFCD30308365
Product Description
Catalog Number:
AG01EMCG
Chemical Name:
3-methyl-1,1-dioxo-1lambda6-thiolane-3-carbaldehyde
CAS Number:
1780259-87-1
Molecular Formula:
C6H10O3S
Molecular Weight:
162.2068
MDL Number:
MFCD30308365
IUPAC Name:
3-methyl-1,1-dioxothiolane-3-carbaldehyde
InChI:
InChI=1S/C6H10O3S/c1-6(4-7)2-3-10(8,9)5-6/h4H,2-3,5H2,1H3
InChI Key:
ZSEQCESDDUXRAV-UHFFFAOYSA-N
SMILES:
O=CC1(C)CCS(=O)(=O)C1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.203g/mol
Monoisotopic Mass:
162.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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