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Home > Aldehydes > 1935536-43-8
1935536-43-8 | 4-MERCAPTO-3,5-DIMETHOXYBENZALDEHYDE
CAS No: 1935536-43-8 Catalog No: AG01BKJJ MDL No:MFCD29035139
Product Description
Catalog Number:
AG01BKJJ
Chemical Name:
4-MERCAPTO-3,5-DIMETHOXYBENZALDEHYDE
CAS Number:
1935536-43-8
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
MDL Number:
MFCD29035139
IUPAC Name:
3,5-dimethoxy-4-sulfanylbenzaldehyde
InChI:
InChI=1S/C9H10O3S/c1-11-7-3-6(5-10)4-8(12-2)9(7)13/h3-5,13H,1-2H3
InChI Key:
DPCJJVDRQBZPOE-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1S)OC
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.236g/mol
Monoisotopic Mass:
198.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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