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138689-38-0 | 3-Isoxazolidinone, 2-[(1-methyl-1H-imidazol-5-yl)methyl]-
CAS No: 138689-38-0 Catalog No: AG001905 MDL No:
Product Description
Catalog Number:
AG001905
Chemical Name:
3-Isoxazolidinone, 2-[(1-methyl-1H-imidazol-5-yl)methyl]-
CAS Number:
138689-38-0
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
IUPAC Name:
2-[(3-methylimidazol-4-yl)methyl]-1,2-oxazolidin-3-one
InChI:
InChI=1S/C8H11N3O2/c1-10-6-9-4-7(10)5-11-8(12)2-3-13-11/h4,6H,2-3,5H2,1H3
InChI Key:
XQLFKJADWCNQRC-UHFFFAOYSA-N
SMILES:
O=C1CCON1Cc1cncn1C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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