| CAS Number | 5657-20-5 |
| Catalog Number | AG019L18(AGN-PC-0KM6EM) |
| Chemical Name | 2-[(furan-2-yl)formamido]-2-phenylacetic acid |
| IUPAC Name | 2-(furan-2-carbonylamino)-2-phenylacetic acid |
| InChI | InChI=1S/C13H11NO4/c15-12(10-7-4-8-18-10)14-11(13(16)17)9-5-2-1-3-6-9/h1-8,11H,(H,14,15)(H,16,17) |
| InChI Key | BAIPGCMVKIAUJL-UHFFFAOYSA-N |
| MDL Number | MFCD09050031 |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.2307 |
| SMILES | OC(C(C1=CC=CC=C1)NC(C1OC=CC=1)=O)=O |
| Synonyms | 2-(furan-2-ylformamido)-2-phenylacetic acid,
(2-furoylamino)(phenyl)acetic acid,
5657-20-5,
AC1Q71SE,
CTK7F9690,
AKOS000133721,
AKOS016051139,
MCULE-9203421710,
NE44075,
NCGC00331952-01,
EN300-29489,
2-[(furan-2-yl)formamido]-2-phenylacetic acid,
AB01325133-02,
Z85968853,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.234g/mol |
| Monoisotopic Mass | 245.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number