| CAS Number | 926253-94-3 |
| Catalog Number | AG019MRK(AGN-PC-0WO1Q1) |
| Chemical Name | 2-[(furan-3-yl)formamido]acetic acid |
| IUPAC Name | 2-(furan-3-carbonylamino)acetic acid |
| InChI | InChI=1S/C7H7NO4/c9-6(10)3-8-7(11)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,11)(H,9,10) |
| InChI Key | YRFHPHVTCBZHGL-UHFFFAOYSA-N |
| MDL Number | MFCD09049228 |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.1348 |
| SMILES | OC(CNC(C1=COC=C1)=O)=O |
| Synonyms | 2-(furan-3-ylformamido)acetic acid,
(3-furoylamino)acetic acid,
926253-94-3,
AC1Q75ZF,
SCHEMBL18912249,
CTK7J5235,
ZINC22145140,
AKOS000132989,
2-[(furan-3-yl)formamido]acetic acid,
MCULE-7494176457,
NE56222,
EN300-37064,
AB00996616-01,
Z381357652,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.136g/mol |
| Monoisotopic Mass | 169.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number