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63624-30-6 | 4,5-dimethoxy-2-(methylsulfanyl)benzaldehyde
CAS No: 63624-30-6 Catalog No: AG01AKA3 MDL No:MFCD19302420
Product Description
Catalog Number:
AG01AKA3
Chemical Name:
4,5-dimethoxy-2-(methylsulfanyl)benzaldehyde
CAS Number:
63624-30-6
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD19302420
IUPAC Name:
4,5-dimethoxy-2-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C10H12O3S/c1-12-8-4-7(6-11)10(14-3)5-9(8)13-2/h4-6H,1-3H3
InChI Key:
ZCLXCLRRCZYOTJ-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(cc1OC)SC
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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