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139937-99-8 | Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethyl-
CAS No: 139937-99-8 Catalog No: AG001BTY MDL No:
Product Description
Catalog Number:
AG001BTY
Chemical Name:
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethyl-
CAS Number:
139937-99-8
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
IUPAC Name:
2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C11H21NO4/c1-6-11(7-2,8(13)14)12-9(15)16-10(3,4)5/h6-7H2,1-5H3,(H,12,15)(H,13,14)
InChI Key:
BYPQXUYSPTXBGE-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)(NC(=O)OC(C)(C)C)CC
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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