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88991-21-3 | 2-Propenoic acid, 2-(acetylamino)-3-(3-thienyl)-, (Z)-
CAS No: 88991-21-3 Catalog No: AG004675 MDL No:
Product Description
Catalog Number:
AG004675
Chemical Name:
2-Propenoic acid, 2-(acetylamino)-3-(3-thienyl)-, (Z)-
CAS Number:
88991-21-3
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
2-acetamido-3-thiophen-3-ylprop-2-enoic acid
InChI:
InChI=1S/C9H9NO3S/c1-6(11)10-8(9(12)13)4-7-2-3-14-5-7/h2-5H,1H3,(H,10,11)(H,12,13)
InChI Key:
SQJBLXUDQHJGCT-UHFFFAOYSA-N
SMILES:
CC(=O)N/C(=C\c1cscc1)/C(=O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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