| CAS Number | 716372-69-9 |
| Catalog Number | AG019UXB |
| Chemical Name | 2-(N-methylcyclopropaneamido)benzoic acid |
| IUPAC Name | 2-[cyclopropanecarbonyl(methyl)amino]benzoic acid |
| InChI | InChI=1S/C12H13NO3/c1-13(11(14)8-6-7-8)10-5-3-2-4-9(10)12(15)16/h2-5,8H,6-7H2,1H3,(H,15,16) |
| InChI Key | AWOJOHWMTXGZED-UHFFFAOYSA-N |
| MDL Number | MFCD06326874 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | CN(C1=C(C(O)=O)C=CC=C1)C(C1CC1)=O |
| Synonyms | 2-(N-methylcyclopropaneamido)benzoic acid,
716372-69-9,
2-[cyclopropane(methyl)amido]benzoic acid,
2-[(CYCLOPROPYLCARBONYL)(METHYL)AMINO]BENZOIC ACID,
AC1M5ARK,
AC1Q3VSN,
CTK7G2192,
HMS1766M20,
ZINC3200170,
AKOS000131095,
MCULE-9997333852,
NE38726,
EN300-43132,
2-[cyclopropanecarbonyl(methyl)amino]benzoic acid,
SR-01000029633,
SR-01000029633-1,
CID2325062,
2-(cyclopropanecarbonyl-methyl-amino)benzoic Acid,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number