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1353960-40-3 | [(2-Furan-2-yl-2-oxo-ethyl)-methyl-amino]-acetic acid
CAS No: 1353960-40-3 Catalog No: AG01F892 MDL No:
Product Description
Catalog Number:
AG01F892
Chemical Name:
[(2-Furan-2-yl-2-oxo-ethyl)-methyl-amino]-acetic acid
CAS Number:
1353960-40-3
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
2-[[2-(furan-2-yl)-2-oxoethyl]-methylamino]acetic acid
InChI:
InChI=1S/C9H11NO4/c1-10(6-9(12)13)5-7(11)8-3-2-4-14-8/h2-4H,5-6H2,1H3,(H,12,13)
InChI Key:
HCKRTULCLCUECR-UHFFFAOYSA-N
SMILES:
CN(CC(=O)c1ccco1)CC(=O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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