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Specification
The molecular formula of tert-Butyl 3-formylbenzylcarbamate is C13H17NO3.
The molecular weight of tert-Butyl 3-formylbenzylcarbamate is 235.28 g/mol.
The IUPAC name of tert-Butyl 3-formylbenzylcarbamate is tert-butyl N-[(3-formylphenyl)methyl]carbamate.
The InChI of tert-Butyl 3-formylbenzylcarbamate is InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-8-10-5-4-6-11(7-10)9-15/h4-7,9H,8H2,1-3H3,(H,14,16).
The InChIKey of tert-Butyl 3-formylbenzylcarbamate is JORXNWZTJLYRQA-UHFFFAOYSA-N.
The canonical SMILES of tert-Butyl 3-formylbenzylcarbamate is CC(C)(C)OC(=O)NCC1=CC(=CC=C1)C=O.
The CAS number of tert-Butyl 3-formylbenzylcarbamate is 170853-04-0.
There is 1 hydrogen bond donor count in tert-Butyl 3-formylbenzylcarbamate.
There are 3 hydrogen bond acceptor counts in tert-Butyl 3-formylbenzylcarbamate.