Methyl 3-Amino-5-methoxybenzoate - CAS 217314-47-1

Catalog:	BB017112
Product Name:	Methyl 3-Amino-5-methoxybenzoate
CAS:	217314-47-1
Synonyms:	3-amino-5-methoxybenzoic acid methyl ester; methyl 3-amino-5-methoxybenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-amino-5-methoxybenzoate
Description:	Methyl 3-Amino-5-methoxybenzoate (CAS# 217314-47-1) is a useful research chemical.
Molecular Weight:	181.19
Molecular Formula:	C9H11NO3
Canonical SMILES:	COC1=CC(=CC(=C1)N)C(=O)OC
InChI:	InChI=1S/C9H11NO3/c1-12-8-4-6(9(11)13-2)3-7(10)5-8/h3-5H,10H2,1-2H3
InChI Key:	OWMZQNZFHGAVCN-UHFFFAOYSA-N
Boiling Point:	335.219 °C at 760 mmHg
Density:	1.18 g/cm³
LogP:	1.64520

Publication Number	Title	Priority Date
US-2020102303-A1	Monoacylglycerol Lipase Modulators	20180928
WO-2020065613-A1	Monoacylglycerol lipase modulators	20180928
TW-202028198-A	Monoacylglycerol lipase modulators	20180928
CN-113164459-A	Monoacylglycerol lipase modulators	20180928
EP-3856178-A1	Monoacylglycerol lipase modulators	20180928

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Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.07389321
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	61.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5