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88511-35-7 | Ketone, 3-isothiazolyl methyl (7CI)
CAS No: 88511-35-7 Catalog No: AG00H0O7 MDL No:MFCD24698632
Product Description
Catalog Number:
AG00H0O7
Chemical Name:
Ketone, 3-isothiazolyl methyl (7CI)
CAS Number:
88511-35-7
Molecular Formula:
C5H5NOS
Molecular Weight:
127.1643
MDL Number:
MFCD24698632
IUPAC Name:
1-(1,2-thiazol-3-yl)ethanone
InChI:
InChI=1S/C5H5NOS/c1-4(7)5-2-3-8-6-5/h2-3H,1H3
InChI Key:
UVLNTEYLVSFUIH-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccsn1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.009g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.161g/mol
Monoisotopic Mass:
127.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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