AG003RY3

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CAS Number	77324-87-9
Catalog Number	AG003RY3(AGN-PC-0LA2T6)
Chemical Name	methyl 2-methyl-5-nitrobenzoate
IUPAC Name	methyl 2-methyl-5-nitrobenzoate
InChI	InChI=1S/C9H9NO4/c1-6-3-4-7(10(12)13)5-8(6)9(11)14-2/h3-5H,1-2H3
InChI Key	TVGKPVDDCDQBRC-UHFFFAOYSA-N
MDL Number	MFCD00230865
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=CC=C1C
Synonyms	methyl 2-methyl-5-nitrobenzoate, 77324-87-9, Methyl 5-nitro-2-methylbenzoate, 2-Methyl-5-nitro-benzoic acid methyl ester, 2-Methyl-5-nitrobenzoic Acid Methyl Ester, methyl2-methyl-5-nitrobenzoate, methyl 3-nitro-6-methylbenzoate, MFCD00230865, Benzoic acid, 2-methyl-5-nitro-, methyl ester, Methyl 2-methyl-5-nitro-benzoate, ACMC-1BIX6, Methyl 5-Nitro-o-toluate, AC1Q41XI, KSC495S6B, AC1N901P, SCHEMBL1319532, 2-Methyl-5-nitro methylbenzoate, CTK3J5960, DTXSID10402596, EBD6942, TVGKPVDDCDQBRC-UHFFFAOYSA-N, ACN-S004191, BCP24482, KS-00000BG5, ZINC3132831, 5-Nitro-o-toluic Acid Methyl Ester, ANW-37005, CM-640, AKOS009486129, AC-5781, CM12848, CS-W019818, MCULE-5493668911, RP04007, RTR-024719, TRA0059363, VZ32555, AJ-44566, AK-31674, AM804350, AN-10644, AS-11340, BC202430, CJ-10590, SC-52318, SY006877, AB0009686, AB1008190, ST2413307, TL8005310, TR-024719, A9789, FT-0647671, M2220, MFCD00230865 (98%), A-3207, 324M879, AE-562/43459974, I01-5785, J-522047, null, 2-Chloro-3-fluorotoluene, C9H9NO4, Methyl5-nitro-2-methylbenzoate, ACN-000017, CID4377758, 256417-10-4,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited