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3303-84-2 | Boc-β-Ala-OH
CAS No: 3303-84-2 Catalog No: AG003STN MDL No:MFCD00037291
Product Description
Catalog Number:
AG003STN
Chemical Name:
Boc-β-Ala-OH
CAS Number:
3303-84-2
Molecular Formula:
C8H15NO4
Molecular Weight:
189.2090
MDL Number:
MFCD00037291
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11)
InChI Key:
WCFJUSRQHZPVKY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCC(=O)O
EC Number:
221-979-2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.211g/mol
Monoisotopic Mass:
189.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Covalent tethering of organic functionality to the surface of glassy carbon electrodes by using electrochemical and solid-phase synthesis methodologies. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
| Molecular discrimination of N-protected amino acid esters by a self-assembled cylindrical capsule: spectroscopic and computational studies. | The Journal of organic chemistry 20021129 |
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