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87149-80-2 | Acetamide, N-[3-(2,2-dimethoxyethyl)-4-isoxazolyl]-
CAS No: 87149-80-2 Catalog No: AG004TA6 MDL No:
Product Description
Catalog Number:
AG004TA6
Chemical Name:
Acetamide, N-[3-(2,2-dimethoxyethyl)-4-isoxazolyl]-
CAS Number:
87149-80-2
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
IUPAC Name:
N-[3-(2,2-dimethoxyethyl)-1,2-oxazol-4-yl]acetamide
InChI:
InChI=1S/C9H14N2O4/c1-6(12)10-8-5-15-11-7(8)4-9(13-2)14-3/h5,9H,4H2,1-3H3,(H,10,12)
InChI Key:
GRIQYMDKLYAQHZ-UHFFFAOYSA-N
SMILES:
COC(Cc1nocc1NC(=O)C)OC
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.221g/mol
Monoisotopic Mass:
214.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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