| CAS Number | 635311-42-1 |
| Catalog Number | AG00IB8D(AGN-PC-09RZJS) |
| Chemical Name | Carbamic acid, (3-oxocyclopentyl)-, phenylmethyl ester |
| IUPAC Name | benzyl N-(3-oxocyclopentyl)carbamate |
| InChI | InChI=1S/C13H15NO3/c15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16) |
| InChI Key | KCMRCKOQBAJKAG-UHFFFAOYSA-N |
| MDL Number | MFCD16036402 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | O=C(OCC1=CC=CC=C1)NC2CC(CC2)=O |
| Synonyms | BENZYL 3-OXOCYCLOPENTYLCARBAMATE,
635311-42-1,
Benzyl N-(3-oxocyclopentyl)carbamate,
Benzyl (3-oxocyclopentyl)carbamate,
SCHEMBL758357,
KCMRCKOQBAJKAG-UHFFFAOYSA-N,
KS-000007YX,
MFCD16036402,
3-Oxocyclopentylcarbamic acid benzyl ester,
AS-30368,
DA-04882,
SC-33442,
CS-0049813,
FT-0767145,
Carbamic acid, (3-oxocyclopentyl)-, phenylmethyl ester,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| 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