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96495-18-0 | 3-methoxy-4-sulfanylbenzaldehyde
CAS No: 96495-18-0 Catalog No: AG019XM7 MDL No:MFCD13196219
Product Description
Catalog Number:
AG019XM7
Chemical Name:
3-methoxy-4-sulfanylbenzaldehyde
CAS Number:
96495-18-0
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD13196219
IUPAC Name:
3-methoxy-4-sulfanylbenzaldehyde
InChI:
InChI=1S/C8H8O2S/c1-10-7-4-6(5-9)2-3-8(7)11/h2-5,11H,1H3
InChI Key:
KMBODSUCXVBFCD-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1S
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.21g/mol
Monoisotopic Mass:
168.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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