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89636-08-8 | 2-Butenoic acid, 4-(2-furanyl)-2-(methylthio)-4-oxo-
CAS No: 89636-08-8 Catalog No: AG003WII MDL No:
Product Description
Catalog Number:
AG003WII
Chemical Name:
2-Butenoic acid, 4-(2-furanyl)-2-(methylthio)-4-oxo-
CAS Number:
89636-08-8
Molecular Formula:
C9H8O4S
Molecular Weight:
212.2224
IUPAC Name:
4-(furan-2-yl)-2-methylsulfanyl-4-oxobut-2-enoic acid
InChI:
InChI=1S/C9H8O4S/c1-14-8(9(11)12)5-6(10)7-3-2-4-13-7/h2-5H,1H3,(H,11,12)
InChI Key:
YWRXAZDZPSDGHB-UHFFFAOYSA-N
SMILES:
CSC(=CC(=O)c1ccco1)C(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.014g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.219g/mol
Monoisotopic Mass:
212.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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