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130383-46-9 | Acetic acid, 2-[[2-[[3-(2-furanyl)-1-oxo-2-propen-1-yl]amino]acetyl]thio]-
CAS No: 130383-46-9 Catalog No: AG000UBZ MDL No:
Product Description
Catalog Number:
AG000UBZ
Chemical Name:
Acetic acid, 2-[[2-[[3-(2-furanyl)-1-oxo-2-propen-1-yl]amino]acetyl]thio]-
CAS Number:
130383-46-9
Molecular Formula:
C11H11NO5S
Molecular Weight:
269.2737
IUPAC Name:
2-[2-[3-(furan-2-yl)prop-2-enoylamino]acetyl]sulfanylacetic acid
InChI:
InChI=1S/C11H11NO5S/c13-9(4-3-8-2-1-5-17-8)12-6-11(16)18-7-10(14)15/h1-5H,6-7H2,(H,12,13)(H,14,15)
InChI Key:
KVDDTUOHUWNBIK-UHFFFAOYSA-N
SMILES:
OC(=O)CSC(=O)CNC(=O)C=Cc1ccco1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.271g/mol
Monoisotopic Mass:
269.036g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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