Methyl 3-Amino-2-hydroxybenzoate - CAS 35748-34-6
Catalog: |
BB022751 |
Product Name: |
Methyl 3-Amino-2-hydroxybenzoate |
CAS: |
35748-34-6 |
Synonyms: |
3-amino-2-hydroxybenzoic acid methyl ester; methyl 3-amino-2-hydroxybenzoate |
IUPAC Name: | methyl 3-amino-2-hydroxybenzoate |
Description: | Methyl 3-Amino-2-hydroxybenzoate (CAS# 35748-34-6) is disubsituted benzoic acid used in the preparation of various pharmaceutical compounds such as sphingosine kinase inhibitors. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)N)O |
InChI: | InChI=1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,9H2,1H3 |
InChI Key: | OMWQHVRUXLRZRC-UHFFFAOYSA-N |
Boiling Point: | 274.919 ℃ at 760 mmHg |
Density: | 1.306 g/cm3 |
Appearance: | Pale brown crystalline powder |
MDL: | MFCD09842614 |
LogP: | 1.34220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020155563-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20181030 |
WO-2020092383-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20181030 |
TW-202033493-A | Compounds for inhibition of α4β7 integrin | 20181030 |
CN-112996786-A | Compounds for inhibiting alpha 4 beta 7 integrins | 20181030 |
EP-3873897-A1 | Compounds for inhibition of alpha 4 beta 7 integrin | 20181030 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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