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89446-37-7 | Benzaldehyde, 3-mercapto-4,5-dimethoxy-
CAS No: 89446-37-7 Catalog No: AG0043EQ MDL No:
Product Description
Catalog Number:
AG0043EQ
Chemical Name:
Benzaldehyde, 3-mercapto-4,5-dimethoxy-
CAS Number:
89446-37-7
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
IUPAC Name:
3,4-dimethoxy-5-sulfanylbenzaldehyde
InChI:
InChI=1S/C9H10O3S/c1-11-7-3-6(5-10)4-8(13)9(7)12-2/h3-5,13H,1-2H3
InChI Key:
REKBTYZNEOZWOB-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1OC)S
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.236g/mol
Monoisotopic Mass:
198.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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