AG00FHOF

706792-04-3 | Benzoic acid, 3-amino-5-ethoxy-, methyl ester (9CI)

AG00FHOF

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CAS Number	706792-04-3
Catalog Number	AG00FHOF(AGN-PC-07AE0B)
Chemical Name	Benzoic acid, 3-amino-5-ethoxy-, methyl ester (9CI)
IUPAC Name	methyl 3-amino-5-ethoxybenzoate
InChI	InChI=1S/C10H13NO3/c1-3-14-9-5-7(10(12)13-2)4-8(11)6-9/h4-6H,3,11H2,1-2H3
InChI Key	UBCBLDVGUKBPKU-UHFFFAOYSA-N
MDL Number	MFCD20696913
Molecular Formula	C10H13NO3
Molecular Weight	195.2151
SMILES	O=C(OC)C1=CC(OCC)=CC(N)=C1
Synonyms	Methyl 3-amino-5-ethoxybenzoate, 706792-04-3, AK164942, Benzoic acid, 3-amino-5-ethoxy-, methyl ester (9CI), SCHEMBL5220844, UBCBLDVGUKBPKU-UHFFFAOYSA-N, KS-00000SN0, MFCD20696913, ZINC39082872, AKOS017529820, CS-W005590, DS-8844, BBV-39983102, 3-Amino-5-ethoxy-benzoic acid methyl ester, benzoic acid,3-amino-5-ethoxy-,methyl ester, FT-0713329, ST24047789, Benzoicacid,3-amino-5-ethoxy-,methylester,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.218g/mol
Monoisotopic Mass	195.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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

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