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358721-54-7 | 3-(3,5-Dimethylisoxazol-4-yl)propanoyl chloride
CAS No: 358721-54-7 Catalog No: AG00CN1K MDL No:MFCD15732521
Product Description
Catalog Number:
AG00CN1K
Chemical Name:
3-(3,5-Dimethylisoxazol-4-yl)propanoyl chloride
CAS Number:
358721-54-7
Molecular Formula:
C8H10ClNO2
Molecular Weight:
187.6235
MDL Number:
MFCD15732521
IUPAC Name:
3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl chloride
InChI:
InChI=1S/C8H10ClNO2/c1-5-7(3-4-8(9)11)6(2)12-10-5/h3-4H2,1-2H3
InChI Key:
RNDWGRIZQAVFKZ-UHFFFAOYSA-N
SMILES:
ClC(=O)CCc1c(C)noc1C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.623g/mol
Monoisotopic Mass:
187.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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