AG007PC5

217314-47-1 | METHYL 3-AMINO-5-METHOXYBENZOATE

AG007PC5

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CAS Number	217314-47-1
Catalog Number	AG007PC5(AGN-PC-00H14K)
Chemical Name	METHYL 3-AMINO-5-METHOXYBENZOATE
IUPAC Name	methyl 3-amino-5-methoxybenzoate
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
MDL Number	MFCD09263221
Molecular Formula	C9H11NO3
Molecular Weight	181.1885
SMILES	O=C(OC)C1=CC(OC)=CC(N)=C1
Synonyms	Methyl 3-amino-5-methoxybenzoate, 217314-47-1, SCHEMBL414382, CTK4E7577, DTXSID60474041, Methyl 3-methoxy-5-aminobenzoate, OWMZQNZFHGAVCN-UHFFFAOYSA-N, 1036AB, MFCD09263221, ZINC14985977, AKOS006330497, CS-W005930, GS-6513, AJ-66489, AK116844, SC-94074, 3-Methoxy-5-aminobenzoic acid methyl ester, 3-amino-5-methoxy-benzoic acid methyl ester, ST24047791, Benzoic acid,3-amino-5-methoxy-, methyl ester, W-2464, C9H11NO3, ?Methyl 3-amino-5-methoxybenzoate, Methyl 3-amino-5-methoxy-benzoate, METHYL3-AMINO-5-METHOXYBENZOATE, CID11830046,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.191g/mol
Monoisotopic Mass	181.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number