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Home > Aldehydes > 827598-56-1
827598-56-1 | 6-Benzothiazolecarboxaldehyde, 4,5,6,7-tetrahydro-2-methyl-7-oxo-
CAS No: 827598-56-1 Catalog No: AG004YTG MDL No:
Product Description
Catalog Number:
AG004YTG
Chemical Name:
6-Benzothiazolecarboxaldehyde, 4,5,6,7-tetrahydro-2-methyl-7-oxo-
CAS Number:
827598-56-1
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
IUPAC Name:
2-methyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-6-carbaldehyde
InChI:
InChI=1S/C9H9NO2S/c1-5-10-7-3-2-6(4-11)8(12)9(7)13-5/h4,6H,2-3H2,1H3
InChI Key:
YVFWPWZQPDGZGZ-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)C(=O)C(CC2)C=O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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