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860216-78-0 | 2-[(3-METHYLPHENYL)SULFANYL]ACETALDEHYDE
CAS No: 860216-78-0 Catalog No: AG01BIUV MDL No:MFCD11585696
Product Description
Catalog Number:
AG01BIUV
Chemical Name:
2-[(3-METHYLPHENYL)SULFANYL]ACETALDEHYDE
CAS Number:
860216-78-0
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD11585696
IUPAC Name:
2-(3-methylphenyl)sulfanylacetaldehyde
InChI:
InChI=1S/C9H10OS/c1-8-3-2-4-9(7-8)11-6-5-10/h2-5,7H,6H2,1H3
InChI Key:
JJVQJMCELSHCNR-UHFFFAOYSA-N
SMILES:
O=CCSc1cccc(c1)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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