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Home > Aldehydes > 294674-98-9
294674-98-9 | Benzaldehyde, 2-mercapto-4-methoxy-
CAS No: 294674-98-9 Catalog No: AG002YGV MDL No:MFCD09261029
Product Description
Catalog Number:
AG002YGV
Chemical Name:
Benzaldehyde, 2-mercapto-4-methoxy-
CAS Number:
294674-98-9
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD09261029
IUPAC Name:
4-methoxy-2-sulfanylbenzaldehyde
InChI:
InChI=1S/C8H8O2S/c1-10-7-3-2-6(5-9)8(11)4-7/h2-5,11H,1H3
InChI Key:
WESJBCJEZBGYIZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)S)C=O
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:
1.5
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