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158849-23-1 | Butanoic acid, 3-amino-, 1,1-dimethylethyl ester, (3R)-
CAS No: 158849-23-1 Catalog No: AG001QYH MDL No:MFCD00798293
Product Description
Catalog Number:
AG001QYH
Chemical Name:
Butanoic acid, 3-amino-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
158849-23-1
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
MDL Number:
MFCD00798293
IUPAC Name:
tert-butyl (3R)-3-aminobutanoate
InChI:
InChI=1S/C8H17NO2/c1-6(9)5-7(10)11-8(2,3)4/h6H,5,9H2,1-4H3/t6-/m1/s1
InChI Key:
BFFNZGWJTHWUMY-ZCFIWIBFSA-N
SMILES:
C[C@H](CC(=O)OC(C)(C)C)N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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