3-(Cbz-amino)-5-hydroxybenzoic Acid - CAS 900799-69-1
Catalog: |
BB039756 |
Product Name: |
3-(Cbz-amino)-5-hydroxybenzoic Acid |
CAS: |
900799-69-1 |
Synonyms: |
3-hydroxy-5-(phenylmethoxycarbonylamino)benzoic acid; 3-hydroxy-5-(phenylmethoxycarbonylamino)benzoic acid |
IUPAC Name: | 3-hydroxy-5-(phenylmethoxycarbonylamino)benzoic acid |
Description: | 3-(Cbz-amino)-5-hydroxybenzoic Acid (CAS# 900799-69-1) is a useful research chemical. |
Molecular Weight: | 287.27 |
Molecular Formula: | C15H13NO5 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NC2=CC(=CC(=C2)C(=O)O)O |
InChI: | InChI=1S/C15H13NO5/c17-13-7-11(14(18)19)6-12(8-13)16-15(20)21-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,16,20)(H,18,19) |
InChI Key: | DIPYTSQSLOJNFI-UHFFFAOYSA-N |
Boiling Point: | 486.2 °C at 760 mmHg |
Density: | 1.432 g/cm3 |
LogP: | 2.91210 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-1851208-A1 | Macrocyclic compounds useful as bace inhibitors | 20050113 |
KR-20070102514-A | Macrocyclic Compounds Useful as BAC Inhibitors | 20050113 |
US-2008132477-A1 | Macrocyclic Compounds Useful as Bace Inhibitors | 20050113 |
WO-2006074950-A1 | Macrocyclic compounds useful as bace inhibitors | 20050113 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.07937252 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 95.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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