| CAS Number | 196211-13-9 |
| Catalog Number | AG00ASVD(AGN-PC-0BWU1Y) |
| Chemical Name | 1-(Benzylcarbamoyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(benzylcarbamoyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C12H13NO3/c14-10(12(6-7-12)11(15)16)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16) |
| InChI Key | ZIPURTBBOFIUNR-UHFFFAOYSA-N |
| MDL Number | MFCD16676101 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | O=C(C1(CC1)C(=O)O)NCc1ccccc1 |
| Synonyms | 196211-13-9,
1-Benzylcarbamoyl-cyclopropanecarboxylic acid,
1-(Benzylcarbamoyl)cyclopropanecarboxylic acid,
1-(benzylcarbamoyl)cyclopropane-1-carboxylic acid,
SCHEMBL372024,
ZIPURTBBOFIUNR-UHFFFAOYSA-N,
ZINC50289751,
AKOS011374138,
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| Complexity | 291 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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