Methyl 2-Amino-4-methoxybenzoate - CAS 50413-30-4

Catalog:	BB027043
Product Name:	Methyl 2-Amino-4-methoxybenzoate
CAS:	50413-30-4
Synonyms:	2-amino-4-methoxybenzoic acid methyl ester; methyl 2-amino-4-methoxybenzoate

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Computed Properties

IUPAC Name:	methyl 2-amino-4-methoxybenzoate
Description:	Methyl 2-Amino-4-methoxybenzoate (CAS# 50413-30-4) is a useful research chemical.
Molecular Weight:	181.19
Molecular Formula:	C9H11NO3
Canonical SMILES:	COC1=CC(=C(C=C1)C(=O)OC)N
InChI:	InChI=1S/C9H11NO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,10H2,1-2H3
InChI Key:	CEKCJQBZVNIMLD-UHFFFAOYSA-N
Boiling Point:	313.7 °C at 760 mmHg
Density:	1.179 g/cm³
LogP:	1.64520

Publication Number	Title	Priority Date
CN-113501766-A	Asymmetric synthesis method of multifunctional cyclopentenone derivative containing difluoroalkyl	20210707
CN-111763164-A	Preparation method and application of ortho-carbonyl amino substituted benzene derivatives	20190402
WO-2020199945-A1	Ortho-carbonyl amino-substituted benzene derivative, and preparation method therefor and use thereof	20190402
WO-2020109350-A1	3-(phenylsulfonyl)-[1,2,3]triazolo[1,5a]quinazolin-5(4h)-one derivatives	20181128
CN-113195493-A	3- (benzenesulfonyl) - [1,2,3] triazolo [1,5a ] quinazolin-5 (4H) -one derivatives	20181128

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6