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88991-20-2 | 2-Propenoic acid, 2-(benzoylamino)-3-(2-thienyl)-, (E)-
CAS No: 88991-20-2 Catalog No: AG004676 MDL No:
Product Description
Catalog Number:
AG004676
Chemical Name:
2-Propenoic acid, 2-(benzoylamino)-3-(2-thienyl)-, (E)-
CAS Number:
88991-20-2
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
IUPAC Name:
2-benzamido-3-thiophen-2-ylprop-2-enoic acid
InChI:
InChI=1S/C14H11NO3S/c16-13(10-5-2-1-3-6-10)15-12(14(17)18)9-11-7-4-8-19-11/h1-9H,(H,15,16)(H,17,18)
InChI Key:
YSANICPPZVEPLP-UHFFFAOYSA-N
SMILES:
OC(=O)/C(=C\c1cccs1)/NC(=O)c1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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