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88991-31-5 | 2-Propenoic acid, 2-(acetylamino)-3-(2-thienyl)-, methyl ester, (Z)-
CAS No: 88991-31-5 Catalog No: AG00451W MDL No:
Product Description
Catalog Number:
AG00451W
Chemical Name:
2-Propenoic acid, 2-(acetylamino)-3-(2-thienyl)-, methyl ester, (Z)-
CAS Number:
88991-31-5
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
methyl 2-acetamido-3-thiophen-2-ylprop-2-enoate
InChI:
InChI=1S/C10H11NO3S/c1-7(12)11-9(10(13)14-2)6-8-4-3-5-15-8/h3-6H,1-2H3,(H,11,12)
InChI Key:
FHHIYFXCJPSMEW-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C/c1cccs1)/NC(=O)C
Properties
Complexity:
288
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:
1
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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