| CAS Number | 19747-13-8 |
| Catalog Number | AG002ATS(AGN-PC-0QP3IW) |
| Chemical Name | 3-(furan-2-yl)-2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)prop-2-enoic acid |
| IUPAC Name | 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid |
| InChI | InChI=1S/C14H10N4O3/c19-14(20)12(9-11-7-4-8-21-11)18-13(15-16-17-18)10-5-2-1-3-6-10/h1-9H,(H,19,20) |
| InChI Key | YVQAGBCKIDNFLC-UHFFFAOYSA-N |
| MDL Number | MFCD06357418 |
| Molecular Formula | C14H10N4O3 |
| Molecular Weight | 282.2542 |
| SMILES | OC(C(N1C(C2=CC=CC=C2)=NN=N1)=CC1OC=CC=1)=O |
| Synonyms | 19747-13-8,
AC1MT3EX,
3-(furan-2-yl)-2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)prop-2-enoic acid,
CTK4E2205,
AKOS034449644,
MCULE-8813833182,
Z56346907,
1H-Tetrazole-1-aceticacid, a-(2-furanylmethylene)-5-phenyl-,
3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid,
1H-Tetrazole-1-acetic acid, alpha-(2-furanylmethylene)-5-phenyl-,
4-AMYLOXYCINNAMIC ACID,
CID3569296,
3-(2-furyl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic Acid,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.259g/mol |
| Monoisotopic Mass | 282.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number