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Home > Aldehydes > 178999-42-3
178999-42-3 | 7-Benzothiazolecarboxaldehyde,2,3-dihydro-2-oxo-(9CI)
CAS No: 178999-42-3 Catalog No: AG00AV12 MDL No:
Product Description
Catalog Number:
AG00AV12
Chemical Name:
7-Benzothiazolecarboxaldehyde,2,3-dihydro-2-oxo-(9CI)
CAS Number:
178999-42-3
IUPAC Name:
2-oxo-3H-1,3-benzothiazole-7-carbaldehyde
InChI:
InChI=1S/C8H5NO2S/c10-4-5-2-1-3-6-7(5)12-8(11)9-6/h1-4H,(H,9,11)
InChI Key:
XJPDCGDZFLTLNM-UHFFFAOYSA-N
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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