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7025-19-6 | Rhodanine-3-propionic Acid , 98%
CAS No: 7025-19-6 Catalog No: AG003U4L MDL No:MFCD00022558
Product Description
Catalog Number:
AG003U4L
Chemical Name:
Rhodanine-3-propionic Acid , 98%
CAS Number:
7025-19-6
Molecular Formula:
C6H7NO3S2
Molecular Weight:
205.2547
MDL Number:
MFCD00022558
IUPAC Name:
3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
InChI:
InChI=1S/C6H7NO3S2/c8-4-3-12-6(11)7(4)2-1-5(9)10/h1-3H2,(H,9,10)
InChI Key:
SWAHCTPCIUXXTQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCN1C(=S)SCC1=O
EC Number:
230-307-7
NSC Number:
97091
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.987g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.246g/mol
Monoisotopic Mass:
204.987g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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