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30741-00-5 | 2-Benzothiazolecarboxaldehyde,4-hydroxy-(8CI)
CAS No: 30741-00-5 Catalog No: AG00BLLD MDL No:
Product Description
Catalog Number:
AG00BLLD
Chemical Name:
2-Benzothiazolecarboxaldehyde,4-hydroxy-(8CI)
CAS Number:
30741-00-5
IUPAC Name:
4-hydroxy-1,3-benzothiazole-2-carbaldehyde
InChI:
InChI=1S/C8H5NO2S/c10-4-7-9-8-5(11)2-1-3-6(8)12-7/h1-4,11H
InChI Key:
VVWKVIFXTJIDRV-UHFFFAOYSA-N
Properties
Complexity:
188
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:
4
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:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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