Home Carbonyls 2-Furanpropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-

2-Furanpropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-

CAS No.:
14676-03-0
Catalog Number:
AG007Y1C
Molecular Formula:
C12H17NO5
Molecular Weight:
255.2671
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Product Description
Catalog Number:
AG007Y1C
Chemical Name:
2-Furanpropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
14676-03-0
Molecular Formula:
C12H17NO5
Molecular Weight:
255.2671
MDL Number:
MFCD02090673
IUPAC Name:
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)
InChI Key:
NTIWANHPRXTWCF-UHFFFAOYSA-N
SMILES:
O=C(C(C(C(=O)O)N)c1ccco1)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:
1.1  
Properties