AG003RX0

18595-12-5 | Methyl 5-amino-2-methylbenzoate

AG003RX0

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CAS Number	18595-12-5
Catalog Number	AG003RX0(AGN-PC-003IPJ)
Chemical Name	Methyl 5-amino-2-methylbenzoate
IUPAC Name	methyl 5-amino-2-methylbenzoate
InChI	InChI=1S/C9H11NO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,10H2,1-2H3
InChI Key	JNPZKGOLYSCSEL-UHFFFAOYSA-N
MDL Number	MFCD08752568
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	NC1=CC(=C(C=C1)C)C(=O)OC
Synonyms	Methyl 5-Amino-2-Methylbenzoate, 18595-12-5, 5-Amino-2-methyl-benzoic acid methyl ester, 5-amino-2-methylbenzoic acid methyl ester, MFCD08752568, 5-amino-2-methyl benzoic acid methyl ester, Benzoic acid,5-amino-2-methyl-, methyl ester, Benzoic acid, 5-amino-2-methyl-, methyl ester, 2-Methyl-5-aminobenzoicacidmethylester, Methyl 5-Amino-o-toluate, SCHEMBL1321845, methyl 2-methyl-5-aminobenzoate, methyl 3-amino-6-methylbenzoate, CTK4D9114, DTXSID30567555, JNPZKGOLYSCSEL-UHFFFAOYSA-N, methyl 5-amino-2-methyl-benzoate, 3-AMINO-6-METHYL BENZOATE, BCP24565, 5-Amino-o-toluic Acid Methyl Ester, ANW-50373, CM-638, ZINC21299179, AKOS005259440, AC-5047, CS-W003565, MCULE-1735484350, TRA0058328, AJ-78245, AK-25532, AN-11404, AS-12564, BC202432, BR-25532, CJ-16857, SC-47291, SY021381, 2-Methyl-5-aminobenzoic acid methyl ester, AB0012139, AB1007790, ST2413432, TR-008580, 4CH-006373, FT-0647669, M2540, MFCD08752568 (98%), M-2930, I01-5779, I01-6629, I01-7450, W-201669, Z1318516265, 3-Amino-6-methyl benzoate; 2-Methyl-5-aminobenzoic acid methyl ester, Not Available, 5-amino-2-methylbenzoic acid, C9H11NO2, A4112,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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