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114066-48-7 | 2-Butenoic acid, 4-(5-ethyl-2-thienyl)-4-oxo-
CAS No: 114066-48-7 Catalog No: AG000AG5 MDL No:
Product Description
Catalog Number:
AG000AG5
Chemical Name:
2-Butenoic acid, 4-(5-ethyl-2-thienyl)-4-oxo-
CAS Number:
114066-48-7
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
IUPAC Name:
4-(5-ethylthiophen-2-yl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H10O3S/c1-2-7-3-5-9(14-7)8(11)4-6-10(12)13/h3-6H,2H2,1H3,(H,12,13)
InChI Key:
BUESDXYPNRXFPE-UHFFFAOYSA-N
SMILES:
CCc1ccc(s1)C(=O)C=CC(=O)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.247g/mol
Monoisotopic Mass:
210.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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