2-{4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl}propanoic acid - CAS 2091007-63-3
Catalog: |
BB016408 |
Product Name: |
2-{4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl}propanoic acid |
CAS: |
2091007-63-3 |
Synonyms: |
2-(4-methoxy-6-pyrrolo[2,1-f][1,2,4]triazinyl)propanoic acid; 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propanoic acid |
IUPAC Name: | 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propanoic acid |
Description: | 2-{4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl}propanoic acid (CAS# 2091007-63-3 ) is a useful research chemical. |
Molecular Weight: | 221.216 |
Molecular Formula: | C10H11N3O3 |
Canonical SMILES: | CC(C1=CN2C(=C1)C(=NC=N2)OC)C(=O)O |
InChI: | InChI=1S/C10H11N3O3/c1-6(10(14)15)7-3-8-9(16-2)11-5-12-13(8)4-7/h3-6H,1-2H3,(H,14,15) |
InChI Key: | BIHBQVKRJHFODQ-UHFFFAOYSA-N |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.08004122 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.08004122 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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