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105126-91-8 | (3-METHOXYPHENYLSULPHANYL)ACETALDEHYDE
CAS No: 105126-91-8 Catalog No: AG01BIUG MDL No:MFCD16096696
Product Description
Catalog Number:
AG01BIUG
Chemical Name:
(3-METHOXYPHENYLSULPHANYL)ACETALDEHYDE
CAS Number:
105126-91-8
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD16096696
IUPAC Name:
2-(3-methoxyphenyl)sulfanylacetaldehyde
InChI:
InChI=1S/C9H10O2S/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-5,7H,6H2,1H3
InChI Key:
LIQQUIOSCAHCIZ-UHFFFAOYSA-N
SMILES:
O=CCSc1cccc(c1)OC
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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