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74675-57-3 | 2-Propenoic acid, 3-[(2-aminophenyl)thio]-, ethyl ester, (2E)-
CAS No: 74675-57-3 Catalog No: AG005IH9 MDL No:
Product Description
Catalog Number:
AG005IH9
Chemical Name:
2-Propenoic acid, 3-[(2-aminophenyl)thio]-, ethyl ester, (2E)-
CAS Number:
74675-57-3
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
IUPAC Name:
ethyl 3-(2-aminophenyl)sulfanylprop-2-enoate
InChI:
InChI=1S/C11H13NO2S/c1-2-14-11(13)7-8-15-10-6-4-3-5-9(10)12/h3-8H,2,12H2,1H3
InChI Key:
GMHHALBZGIVFFW-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/Sc1ccccc1N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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