2-Amino-6-methoxybenzoic Acid - CAS 53600-33-2

Name: 2-Amino-6-methoxybenzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028287
Product Name:	2-Amino-6-methoxybenzoic Acid
CAS:	53600-33-2
Synonyms:	2-amino-6-methoxybenzoic acid; 2-amino-6-methoxybenzoic acid

Technical Data

IUPAC Name:	2-amino-6-methoxybenzoic acid
Description:	2-Amino-6-methoxybenzoic Acid (CAS# 53600-33-2) is a reagent is the synthesis of Tasquinimod (T007820). Tasquinimod is an orally active antiangiogenic agent which may inhibit HDAC4 signalling. This affects cancer cell survival thus making this compound and anti-cancer agent.
Molecular Weight:	167.16
Molecular Formula:	C8H9NO3
Canonical SMILES:	COC1=CC=CC(=C1C(=O)O)N
InChI:	InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChI Key:	DYZDIWNRWSNVPT-UHFFFAOYSA-N
Boiling Point:	341.5 °C at 760 mmHg
Density:	1.303 g/cm³
MDL:	MFCD01941328
LogP:	1.55680

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

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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:	0.6