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1217725-33-1 | 2-Furanpropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
CAS No: 1217725-33-1 Catalog No: AG0015Y0 MDL No:MFCD04117839
Product Description
Catalog Number:
AG0015Y0
Chemical Name:
2-Furanpropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
CAS Number:
1217725-33-1
Molecular Formula:
C12H17NO5
Molecular Weight:
255.2671
MDL Number:
MFCD04117839
IUPAC Name:
(3R)-3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C12H17NO5/c1-12(2,3)18-11(16)13-8(7-10(14)15)9-5-4-6-17-9/h4-6,8H,7H2,1-3H3,(H,13,16)(H,14,15)/t8-/m1/s1
InChI Key:
NTIWANHPRXTWCF-MRVPVSSYSA-N
SMILES:
OC(=O)C[C@H](c1ccco1)NC(=O)OC(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.27g/mol
Monoisotopic Mass:
255.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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