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87815-67-6 | Acetaldehyde, (1,3-benzodithiol-2-ylidene)-
CAS No: 87815-67-6 Catalog No: AG004F78 MDL No:
Product Description
Catalog Number:
AG004F78
Chemical Name:
Acetaldehyde, (1,3-benzodithiol-2-ylidene)-
CAS Number:
87815-67-6
Molecular Formula:
C9H6OS2
Molecular Weight:
194.2733
IUPAC Name:
2-(1,3-benzodithiol-2-ylidene)acetaldehyde
InChI:
InChI=1S/C9H6OS2/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-6H
InChI Key:
AIORDKJCANCDQK-UHFFFAOYSA-N
SMILES:
O=CC=C1Sc2c(S1)cccc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.266g/mol
Monoisotopic Mass:
193.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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