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151215-34-8 | 4-Pentenoic acid, 4-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-
CAS No: 151215-34-8 Catalog No: AG001N6P MDL No:MFCD01320852
Product Description
Catalog Number:
AG001N6P
Chemical Name:
4-Pentenoic acid, 4-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-
CAS Number:
151215-34-8
Molecular Formula:
C10H16BrNO4
Molecular Weight:
294.1423
MDL Number:
MFCD01320852
IUPAC Name:
(2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
InChI:
InChI=1S/C10H16BrNO4/c1-6(11)5-7(8(13)14)12-9(15)16-10(2,3)4/h7H,1,5H2,2-4H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChI Key:
AKUQAUPMGSKZIY-ZETCQYMHSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)CC(=C)Br
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.145g/mol
Monoisotopic Mass:
293.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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