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88991-23-5 | 2-Propenoic acid, 2-(acetylamino)-3-(5-methyl-2-thienyl)-, (Z)-
CAS No: 88991-23-5 Catalog No: AG0045GC MDL No:
Product Description
Catalog Number:
AG0045GC
Chemical Name:
2-Propenoic acid, 2-(acetylamino)-3-(5-methyl-2-thienyl)-, (Z)-
CAS Number:
88991-23-5
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
2-acetamido-3-(5-methylthiophen-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C10H11NO3S/c1-6-3-4-8(15-6)5-9(10(13)14)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
XIUFQHMYNBNVGS-UHFFFAOYSA-N
SMILES:
CC(=O)N/C(=C\c1ccc(s1)C)/C(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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