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170283-02-0 | Isothiazol-4-ylMethanol
CAS No: 170283-02-0 Catalog No: AG00B9XS MDL No:MFCD19688186
Product Description
Catalog Number:
AG00B9XS
Chemical Name:
Isothiazol-4-ylMethanol
CAS Number:
170283-02-0
Molecular Formula:
C4H5NOS
Molecular Weight:
115.1536
MDL Number:
MFCD19688186
IUPAC Name:
1,2-thiazol-4-ylmethanol
InChI:
InChI=1S/C4H5NOS/c6-2-4-1-5-7-3-4/h1,3,6H,2H2
InChI Key:
OVRPVAZRSIBVJO-UHFFFAOYSA-N
SMILES:
OCc1csnc1
Properties
Complexity:
59.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.009g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.15g/mol
Monoisotopic Mass:
115.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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