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68885-46-1 | 3-Methoxy-4-(methylthio)benzaldehyde
CAS No: 68885-46-1 Catalog No: AG006FYS MDL No:MFCD04973392
Product Description
Catalog Number:
AG006FYS
Chemical Name:
3-Methoxy-4-(methylthio)benzaldehyde
CAS Number:
68885-46-1
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD04973392
IUPAC Name:
3-methoxy-4-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C9H10O2S/c1-11-8-5-7(6-10)3-4-9(8)12-2/h3-6H,1-2H3
InChI Key:
ATXWTZIXTSLPMJ-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1SC
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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