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139199-98-7 | 2-Butenal, 4-(1,3-benzodithiol-2-ylidene)-
CAS No: 139199-98-7 Catalog No: AG001AH5 MDL No:
Product Description
Catalog Number:
AG001AH5
Chemical Name:
2-Butenal, 4-(1,3-benzodithiol-2-ylidene)-
CAS Number:
139199-98-7
Molecular Formula:
C11H8OS2
Molecular Weight:
220.3106
IUPAC Name:
4-(1,3-benzodithiol-2-ylidene)but-2-enal
InChI:
InChI=1S/C11H8OS2/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-8H
InChI Key:
NPCVGPXORYSAAI-UHFFFAOYSA-N
SMILES:
O=CC=CC=C1Sc2c(S1)cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.304g/mol
Monoisotopic Mass:
220.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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