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124072-61-3 | β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CAS No: 124072-61-3 Catalog No: AG000LJK MDL No:MFCD03490508
Product Description
Catalog Number:
AG000LJK
Chemical Name:
β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CAS Number:
124072-61-3
Molecular Formula:
C9H17NO4
Molecular Weight:
203.2356
MDL Number:
MFCD03490508
IUPAC Name:
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI:
InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10(4)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)
InChI Key:
BBIFRGBXCKOUBW-UHFFFAOYSA-N
SMILES:
CN(C(=O)OC(C)(C)C)CCC(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.238g/mol
Monoisotopic Mass:
203.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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