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88152-49-2 | 2-Pentenamide, N-acetyl-3-mercapto-
CAS No: 88152-49-2 Catalog No: AG004E7Z MDL No:
Product Description
Catalog Number:
AG004E7Z
Chemical Name:
2-Pentenamide, N-acetyl-3-mercapto-
CAS Number:
88152-49-2
Molecular Formula:
C7H11NO2S
Molecular Weight:
173.2327
IUPAC Name:
N-acetyl-3-sulfanylpent-2-enamide
InChI:
InChI=1S/C7H11NO2S/c1-3-6(11)4-7(10)8-5(2)9/h4,11H,3H2,1-2H3,(H,8,9,10)
InChI Key:
FFTRFSFUPHWBDE-UHFFFAOYSA-N
SMILES:
CCC(=CC(=O)NC(=O)C)S
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.23g/mol
Monoisotopic Mass:
173.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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