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132184-34-0 | Benzaldehyde, 4-(ethylthio)-2,5-dimethoxy-
CAS No: 132184-34-0 Catalog No: AG0010CA MDL No:
Product Description
Catalog Number:
AG0010CA
Chemical Name:
Benzaldehyde, 4-(ethylthio)-2,5-dimethoxy-
CAS Number:
132184-34-0
Molecular Formula:
C11H14O3S
Molecular Weight:
226.2921
IUPAC Name:
4-ethyl-2,5-dimethoxythiobenzaldehyde
InChI:
InChI=1S/C11H14O2S/c1-4-8-5-11(13-3)9(7-14)6-10(8)12-2/h5-7H,4H2,1-3H3
InChI Key:
KPILVIQLTDNGAU-UHFFFAOYSA-N
SMILES:
CCSc1cc(OC)c(cc1OC)C=O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.291g/mol
Monoisotopic Mass:
210.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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