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87974-78-5 | Octanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 87974-78-5 Catalog No: AG004PAS MDL No:
Product Description
Catalog Number:
AG004PAS
Chemical Name:
Octanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
87974-78-5
Molecular Formula:
C14H27NO4
Molecular Weight:
273.3685
IUPAC Name:
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate
InChI:
InChI=1S/C14H27NO4/c1-6-7-8-9-10-11(12(16)18-5)15-13(17)19-14(2,3)4/h11H,6-10H2,1-5H3,(H,15,17)
InChI Key:
IJFNJSATTIMDRX-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)OC)NC(=O)OC(C)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.373g/mol
Monoisotopic Mass:
273.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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