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869803-41-8 | Hexanoic acid, 6-[(mercaptoacetyl)amino]-
CAS No: 869803-41-8 Catalog No: AG004NXB MDL No:
Product Description
Catalog Number:
AG004NXB
Chemical Name:
Hexanoic acid, 6-[(mercaptoacetyl)amino]-
CAS Number:
869803-41-8
Molecular Formula:
C8H15NO3S
Molecular Weight:
205.2746
IUPAC Name:
6-[(2-sulfanylacetyl)amino]hexanoic acid
InChI:
InChI=1S/C8H15NO3S/c10-7(6-13)9-5-3-1-2-4-8(11)12/h13H,1-6H2,(H,9,10)(H,11,12)
InChI Key:
CTWVBYXJJNKRPG-UHFFFAOYSA-N
SMILES:
SCC(=O)NCCCCCC(=O)O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.272g/mol
Monoisotopic Mass:
205.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Phosphoproteomic analysis with a solid-phase capture-release-tag approach. | Chemistry & biology 20050701 |
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