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1396967-42-2 | 3-Hydroxy-2-(2-propoxy-benzoylamino)-propionic acid
CAS No: 1396967-42-2 Catalog No: AG01F8SY MDL No:
Product Description
Catalog Number:
AG01F8SY
Chemical Name:
3-Hydroxy-2-(2-propoxy-benzoylamino)-propionic acid
CAS Number:
1396967-42-2
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
IUPAC Name:
3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
InChI:
InChI=1S/C13H17NO5/c1-2-7-19-11-6-4-3-5-9(11)12(16)14-10(8-15)13(17)18/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)(H,17,18)
InChI Key:
TZHNWDHTYUDXBQ-UHFFFAOYSA-N
SMILES:
CCCOc1ccccc1C(=O)NC(C(=O)O)CO
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.281g/mol
Monoisotopic Mass:
267.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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