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284492-24-6 | 3-tert-Butoxycarbonylamino-3-furan-3-yl-propionic acid
CAS No: 284492-24-6 Catalog No: AG01F833 MDL No:
Product Description
Catalog Number:
AG01F833
Chemical Name:
3-tert-Butoxycarbonylamino-3-furan-3-yl-propionic acid
CAS Number:
284492-24-6
Molecular Formula:
C12H17NO5
Molecular Weight:
255.2671
IUPAC Name:
3-(furan-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C12H17NO5/c1-12(2,3)18-11(16)13-9(6-10(14)15)8-4-5-17-7-8/h4-5,7,9H,6H2,1-3H3,(H,13,16)(H,14,15)
InChI Key:
JMRUMNAUPGNUDB-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cocc1)NC(=O)OC(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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