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162218-89-5 | 5-Isoxazolecarboxylic acid, 3-(2-ethylbutyl)-4,5-dihydro-, methyl ester
CAS No: 162218-89-5 Catalog No: AG001SWE MDL No:
Product Description
Catalog Number:
AG001SWE
Chemical Name:
5-Isoxazolecarboxylic acid, 3-(2-ethylbutyl)-4,5-dihydro-, methyl ester
CAS Number:
162218-89-5
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
IUPAC Name:
methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-4-8(5-2)6-9-7-10(15-12-9)11(13)14-3/h8,10H,4-7H2,1-3H3
InChI Key:
RGAPEYHVABYTAM-UHFFFAOYSA-N
SMILES:
CCC(CC1=NOC(C1)C(=O)OC)CC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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