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151294-93-8 | 5-Hexenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester
CAS No: 151294-93-8 Catalog No: AG001N8F MDL No:MFCD11505909
Product Description
Catalog Number:
AG001N8F
Chemical Name:
5-Hexenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
151294-93-8
Molecular Formula:
C15H27NO4
Molecular Weight:
285.3792
MDL Number:
MFCD11505909
IUPAC Name:
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
InChI:
InChI=1S/C15H27NO4/c1-8-9-10-11(12(17)19-14(2,3)4)16-13(18)20-15(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,16,18)
InChI Key:
HCCCYDLUFISNCU-UHFFFAOYSA-N
SMILES:
C=CCCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.194g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.384g/mol
Monoisotopic Mass:
285.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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