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1217464-82-8 | 5-Hexynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-
CAS No: 1217464-82-8 Catalog No: AG0015QH MDL No:MFCD11052901
Product Description
Catalog Number:
AG0015QH
Chemical Name:
5-Hexynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)-
CAS Number:
1217464-82-8
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD11052901
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-ynoic acid
InChI:
InChI=1S/C11H17NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h1,8H,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChI Key:
DPHIBCOGEUVKGB-MRVPVSSYSA-N
SMILES:
C#CCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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