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88511-36-8 | Ethanone, 1-(4-isothiazolyl)- (9CI)
CAS No: 88511-36-8 Catalog No: AG00H36A MDL No:MFCD18829177
Product Description
Catalog Number:
AG00H36A
Chemical Name:
Ethanone, 1-(4-isothiazolyl)- (9CI)
CAS Number:
88511-36-8
MDL Number:
MFCD18829177
IUPAC Name:
1-(1,2-thiazol-4-yl)ethanone
InChI:
InChI=1S/C5H5NOS/c1-4(7)5-2-6-8-3-5/h2-3H,1H3
InChI Key:
AHFVHNRSWSMVKW-UHFFFAOYSA-N
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:
0.7
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