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860649-05-4 | methyl 2-(1,2-oxazol-5-yl)octanoate
CAS No: 860649-05-4 Catalog No: AG00IN91 MDL No:MFCD05975005
Product Description
Catalog Number:
AG00IN91
Chemical Name:
methyl 2-(1,2-oxazol-5-yl)octanoate
CAS Number:
860649-05-4
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD05975005
IUPAC Name:
methyl 2-(1,2-oxazol-5-yl)octanoate
InChI:
InChI=1S/C12H19NO3/c1-3-4-5-6-7-10(12(14)15-2)11-8-9-13-16-11/h8-10H,3-7H2,1-2H3
InChI Key:
JAMJBCJOAAUFPR-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1ccno1)C(=O)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:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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