AG00IDIM

Name: Benzoic acid, 4-hydroxy-3-methyl-5-nitro-, methyl ester
Brand: Angene Chemical
SKU: AG00IDIM

850335-09-0 | Benzoic acid, 4-hydroxy-3-methyl-5-nitro-, methyl ester

AG00IDIM

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CAS Number	850335-09-0
Catalog Number	AG00IDIM(AGN-PC-09Z17S)
Chemical Name	Benzoic acid, 4-hydroxy-3-methyl-5-nitro-, methyl ester
IUPAC Name	methyl 4-hydroxy-3-methyl-5-nitrobenzoate
InChI	InChI=1S/C9H9NO5/c1-5-3-6(9(12)15-2)4-7(8(5)11)10(13)14/h3-4,11H,1-2H3
InChI Key	FLYXWUDPPLRBSD-UHFFFAOYSA-N
MDL Number	MFCD27929790
Molecular Formula	C9H9NO5
Molecular Weight	211.1715
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=C(O)C(C)=C1
Synonyms	850335-09-0, Methyl 4-hydroxy-3-methyl-5-nitrobenzoate, Benzoic acid, 4-hydroxy-3-methyl-5-nitro-, methyl ester, SCHEMBL5332962, AKOS034140756, 4-hydroxy-3-methyl-5-nitro-benzoic acid methyl ester,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.048g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.173g/mol
Monoisotopic Mass	211.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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