N-(tert-Butyloxy)carbonyl Anthranilic Acid-13C6 - CAS 176850-22-9
Catalog: |
BB055342 |
Product Name: |
N-(tert-Butyloxy)carbonyl Anthranilic Acid-13C6 |
CAS: |
176850-22-9 |
Synonyms: |
6-[(2-Methylpropan-2-yl)oxycarbonylamino](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid; N-(tert-Butyloxy)carbonyl Anthranilic Acid-13C6 |
IUPAC Name: | 6-[(2-methylpropan-2-yl)oxycarbonylamino](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid |
Molecular Weight: | 243.21 |
Molecular Formula: | C613C6H15NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)O |
InChI: | InChI=1S/C12H15NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8(9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)/i4+1,5+1,6+1,7+1,8+1,9+1 |
InChI Key: | BYGHHEDJDSLEKK-VFESMUGCSA-N |
Solubility: | Dichloromethane, Methanol |
Appearance: | Beige Solid |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.12023697 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 6 |
Monoisotopic Mass: | 243.12023697 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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