| CAS Number | 1340215-39-5 |
| Catalog Number | AG00HT4U(AGN-PC-0WCJAP) |
| Chemical Name | 3-(Benzylamino)oxolane-3-carboxylic acid |
| IUPAC Name | 3-(benzylamino)oxolane-3-carboxylic acid |
| InChI | InChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15) |
| InChI Key | UZLSSCFGNVYENJ-UHFFFAOYSA-N |
| MDL Number | MFCD18333719 |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.2524 |
| SMILES | OC(C1(NCC2=CC=CC=C2)COCC1)=O |
| Synonyms | 1340215-39-5,
3-(BENZYLAMINO)OXOLANE-3-CARBOXYLIC ACID,
3-(Benzylamino)tetrahydrofuran-3-carboxylic acid,
MFCD18333719,
AKOS012639499,
PB24370,
KS-0000044S,
AS-33858,
CS-0051720,
3-(Benzylamino)oxolane-3-carboxylic acid, AldrichCPR,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.256g/mol |
| Monoisotopic Mass | 221.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P301+P312+P330
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UN Code
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Certificate of Analysis
Lot Number