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89661-70-1 | Carbamic acid, [5-(1,1-dimethylethyl)-3-isoxazolyl]-, butyl ester
CAS No: 89661-70-1 Catalog No: AG0044WT MDL No:
Product Description
Catalog Number:
AG0044WT
Chemical Name:
Carbamic acid, [5-(1,1-dimethylethyl)-3-isoxazolyl]-, butyl ester
CAS Number:
89661-70-1
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
IUPAC Name:
butyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
InChI:
InChI=1S/C12H20N2O3/c1-5-6-7-16-11(15)13-10-8-9(17-14-10)12(2,3)4/h8H,5-7H2,1-4H3,(H,13,14,15)
InChI Key:
LUMXORFVIKGSQE-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Nc1noc(c1)C(C)(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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