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78784-21-1 | Benzaldehyde, 4-(1,3-dithiolan-2-yl)-
CAS No: 78784-21-1 Catalog No: AG005PJ5 MDL No:
Product Description
Catalog Number:
AG005PJ5
Chemical Name:
Benzaldehyde, 4-(1,3-dithiolan-2-yl)-
CAS Number:
78784-21-1
Molecular Formula:
C10H10OS2
Molecular Weight:
210.3158
IUPAC Name:
4-(1,3-dithiolan-2-yl)benzaldehyde
InChI:
InChI=1S/C10H10OS2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,7,10H,5-6H2
InChI Key:
UQIJTKOWGZDOEF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C1SCCS1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.309g/mol
Monoisotopic Mass:
210.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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