3-Phenyl-2-(1H-tetrazol-1-yl)propanoic acid - CAS 204188-85-2
Catalog: |
BB050560 |
Product Name: |
3-Phenyl-2-(1H-tetrazol-1-yl)propanoic acid |
CAS: |
204188-85-2 |
Synonyms: |
3-Phenyl-2-tetrazol-1-yl-propionic acid; 1H-Tetrazole-1-acetic acid, a-(phenylmethyl)-; 3-phenyl-2-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid |
IUPAC Name: | 3-phenyl-2-(tetrazol-1-yl)propanoic acid |
Description: | 3-Phenyl-2-(1H-tetrazol-1-yl)propanoic acid (CAS# 204188-85-2 ) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C10H10N4O2 |
Canonical SMILES: | C1=CC=C(C=C1)CC(C(=O)O)N2C=NN=N2 |
InChI: | InChI=1S/C10H10N4O2/c15-10(16)9(14-7-11-12-13-14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,15,16) |
InChI Key: | CJFZFWRBAQCHFO-UHFFFAOYSA-N |
Boiling Point: | 436.9±55.0 ℃ (Predicted) |
Purity: | 95 % |
Density: | 1.39±0.1 g/cm3(Predicted) |
Appearance: | Solid |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.08037557 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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