tert-Butyl 5-(Hydroxymethyl)isoindoline-2-carboxylate - CAS 253801-14-8
Catalog: |
BB070757 |
Product Name: |
tert-Butyl 5-(Hydroxymethyl)isoindoline-2-carboxylate |
CAS: |
253801-14-8 |
Synonyms: |
TERT-BUTYL 5-(HYDROXYMETHYL)ISOINDOLINE-2-CARBOXYLATE; N-BOC-5-(HYDROXYMETHYL)-ISOINDOLINE; tert-butyl 5-(hydroxymethyl)-1,3-dihydroisoindole-2-carboxylate; tert-butyl 5-(hydroxymethyl)-2,3-dihydro-1H-isoindole-2-carboxylate; tert-butyl 5-(hydroxymethyl)-1,3-dihydro-2H-isoindole-2-carboxylate |
IUPAC Name: | tert-butyl 5-(hydroxymethyl)-1,3-dihydroisoindole-2-carboxylate |
Molecular Weight: | 249.3 |
Molecular Formula: | C14H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)CO |
InChI: | InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-7-11-5-4-10(9-16)6-12(11)8-15/h4-6,16H,7-9H2,1-3H3 |
InChI Key: | AELZVPRONRWNRQ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.13649347 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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