| CAS Number | 1019459-07-4 |
| Catalog Number | AG019WYC |
| Chemical Name | 3-methyl-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)butanoic acid |
| IUPAC Name | 3-methyl-2-(5-phenyltetrazol-2-yl)butanoic acid |
| InChI | InChI=1S/C12H14N4O2/c1-8(2)10(12(17)18)16-14-11(13-15-16)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,17,18) |
| InChI Key | FGAZTRCSRQPMET-UHFFFAOYSA-N |
| MDL Number | MFCD11522986 |
| Molecular Formula | C12H14N4O2 |
| Molecular Weight | 246.2652 |
| SMILES | CC(C(N1N=C(C2=CC=CC=C2)N=N1)C(O)=O)C |
| Synonyms | 3-methyl-2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)butanoic acid,
1019459-07-4,
AC1Q1O4X,
CTK6A4135,
AKOS000209528,
AKOS022488763,
MCULE-1697938582,
NE26723,
EN300-53504,
Z216706352,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.27g/mol |
| Monoisotopic Mass | 246.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number