| CAS Number | 138499-01-1 |
| Catalog Number | AG0019AS(AGN-PC-00G8AS) |
| Chemical Name | Carbamic acid, (4-oxo-2-cyclopenten-1-yl)-, phenylmethyl ester (9CI) |
| IUPAC Name | benzyl N-(4-oxocyclopent-2-en-1-yl)carbamate |
| InChI | InChI=1S/C13H13NO3/c15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,14,16) |
| InChI Key | ZGDZYLKOHBZJJM-UHFFFAOYSA-N |
| MDL Number | MFCD28166273 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | O=C1C=CC(NC(=O)OCc2ccccc2)C1 |
| Synonyms | 138499-01-1,
benzyl N-(4-oxocyclopent-2-en-1-yl)carbamate,
Benzyl (4-oxocyclopent-2-en-1-yl)carbamate,
Benzyl (R)-(4-oxocyclopent-2-en-1-yl)carbamate,
Benzyl (S)-(4-oxocyclopent-2-en-1-yl)carbamate,
SCHEMBL7338158,
221910-77-6,
KS-000005IG,
AKOS025291052,
FCH2910030,
AK171238,
AS-52194,
CS-0049812,
Carbamic acid, (4-oxo-2-cyclopenten-1-yl)-, phenylmethyl ester (9CI),
N/A,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.089543g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.25g/mol |
| Monoisotopic Mass | 231.089543g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number