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139578-94-2 | Butanoic acid, 2-(acetylamino)-2-ethyl-
CAS No: 139578-94-2 Catalog No: AG001BAO MDL No:
Product Description
Catalog Number:
AG001BAO
Chemical Name:
Butanoic acid, 2-(acetylamino)-2-ethyl-
CAS Number:
139578-94-2
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
2-acetamido-2-ethylbutanoic acid
InChI:
InChI=1S/C8H15NO3/c1-4-8(5-2,7(11)12)9-6(3)10/h4-5H2,1-3H3,(H,9,10)(H,11,12)
InChI Key:
KEWRXJBFHLPAOL-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)(NC(=O)C)CC
NSC Number:
32826
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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