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Home > Aldehydes > 121620-34-6
121620-34-6 | 2H-Pyran-2-carboxaldehyde, 3,3-bis(ethylthio)tetrahydro-, (2R)-
CAS No: 121620-34-6 Catalog No: AG0015F7 MDL No:
Product Description
Catalog Number:
AG0015F7
Chemical Name:
2H-Pyran-2-carboxaldehyde, 3,3-bis(ethylthio)tetrahydro-, (2R)-
CAS Number:
121620-34-6
Molecular Formula:
C10H18O2S2
Molecular Weight:
234.3787
IUPAC Name:
(2R)-3,3-bis(ethylsulfanyl)oxane-2-carbaldehyde
InChI:
InChI=1S/C10H18O2S2/c1-3-13-10(14-4-2)6-5-7-12-9(10)8-11/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChI Key:
VTDFZLHXHBUJDR-SECBINFHSA-N
SMILES:
CCSC1(SCC)CCCO[C@@H]1C=O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
234.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.372g/mol
Monoisotopic Mass:
234.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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