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13999-31-0 | Isoxazole, 5-(methoxymethyl)-3-methyl-
CAS No: 13999-31-0 Catalog No: AG007YZF MDL No:
Product Description
Catalog Number:
AG007YZF
Chemical Name:
Isoxazole, 5-(methoxymethyl)-3-methyl-
CAS Number:
13999-31-0
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
IUPAC Name:
5-(methoxymethyl)-3-methyl-1,2-oxazole
InChI:
InChI=1S/C6H9NO2/c1-5-3-6(4-8-2)9-7-5/h3H,4H2,1-2H3
InChI Key:
BIHKMPQQASOGPQ-UHFFFAOYSA-N
SMILES:
COCc1onc(c1)C
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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