AG00EOH3

56388-02-4 | 5-Benzoxazolecarboxylic acid,2-amino-,methyl ester

AG00EOH3

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CAS Number	56388-02-4
Catalog Number	AG00EOH3(AGN-PC-0NI35O)
Chemical Name	5-Benzoxazolecarboxylic acid,2-amino-,methyl ester
IUPAC Name	methyl 2-amino-1,3-benzoxazole-5-carboxylate
InChI	InChI=1S/C9H8N2O3/c1-13-8(12)5-2-3-7-6(4-5)11-9(10)14-7/h2-4H,1H3,(H2,10,11)
InChI Key	SEHSCLRSDPFRSB-UHFFFAOYSA-N
MDL Number	MFCD18427500
Molecular Formula	C9H8N2O3
Molecular Weight	192.1714
SMILES	O=C(C1=CC=C(OC(N)=N2)C2=C1)OC
Synonyms	56388-02-4, 5-benzoxazolecarboxylic acid,2-amino-,methyl ester, Methyl 2-amino-1,3-benzoxazole-5-carboxylate, SCHEMBL17664126, CTK5A5062, DTXSID20480522, ZINC39083819, methyl 2-aminobenzo[d]oxazole-5-carboxylate, 5-Benzoxazolecarboxylicacid,2-amino-,methylester(9CI), 2-AMINO-5-BENZOXAZOLECARBOXYLIC ACID METHYL ESTER, 5-Benzoxazolecarboxylicacid,2-amino-,methylester, 5-Benzoxazolecarboxylic acid, 2-amino-, methyl ester (9CI),

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.174g/mol
Monoisotopic Mass	192.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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