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10244-78-7 | 5(4H)-Isoxazolone, 4-(2-hydroxyethyl)-3-methyl-
CAS No: 10244-78-7 Catalog No: AG0007I9 MDL No:
Product Description
Catalog Number:
AG0007I9
Chemical Name:
5(4H)-Isoxazolone, 4-(2-hydroxyethyl)-3-methyl-
CAS Number:
10244-78-7
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
IUPAC Name:
4-(2-hydroxyethyl)-3-methyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C6H9NO3/c1-4-5(2-3-8)6(9)10-7-4/h5,8H,2-3H2,1H3
InChI Key:
LLBHKMWFPCRPDG-UHFFFAOYSA-N
SMILES:
OCCC1C(=NOC1=O)C
NSC Number:
124998
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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