| CAS Number | 130368-98-8 |
| Catalog Number | AG00A7TC(AGN-PC-0NGVOI) |
| Chemical Name | Phenylmethyl N-(3-methylenecyclobutyl)carbamate |
| IUPAC Name | benzyl N-(3-methylidenecyclobutyl)carbamate |
| InChI | InChI=1S/C13H15NO2/c1-10-7-12(8-10)14-13(15)16-9-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2,(H,14,15) |
| InChI Key | HYOKBMVQTGNOCY-UHFFFAOYSA-N |
| MDL Number | MFCD13192571 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | O=C(OCC1=CC=CC=C1)NC2CC(C2)=C |
| Synonyms | 130368-98-8,
Benzyl (3-methylenecyclobutyl)carbamate,
(3-Methylenecyclobutyl)-carbamic acid phenylmethyl ester,
N-(Benzyloxycarbonyl)-3-methylenecyclobutanamine,
SCHEMBL1932815,
HYOKBMVQTGNOCY-UHFFFAOYSA-N,
MFCD13192571,
ZINC38313185,
AKOS027255624,
benzyl (3-methylidene cyclobutyl)carbamate,
CS-0047156,
(3-Methylene-cyclobutyl)-carbamic acid benzyl ester,
CarbaMic acid, N-(3-Methylenecyclobutyl)-, phenylMethyl ester,
CID11160259,
Benzyl N-(3-methylidenecyclobutyl)carbamate,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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