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Home > Aldehydes > 910055-44-6
910055-44-6 | 2-MERCAPTO-5-METHOXYBENZALDEHYDE
CAS No: 910055-44-6 Catalog No: AG01BKJI MDL No:MFCD18904416
Product Description
Catalog Number:
AG01BKJI
Chemical Name:
2-MERCAPTO-5-METHOXYBENZALDEHYDE
CAS Number:
910055-44-6
Molecular Formula:
C8H8O2S
Molecular Weight:
168.2129
MDL Number:
MFCD18904416
IUPAC Name:
5-methoxy-2-sulfanylbenzaldehyde
InChI:
InChI=1S/C8H8O2S/c1-10-7-2-3-8(11)6(4-7)5-9/h2-5,11H,1H3
InChI Key:
UIWFSURGKKLYOD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C=O)S
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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