AG000UNN

1305711-40-3 | 6-Benzoxazolecarboxylic acid, methyl ester

AG000UNN

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CAS Number	1305711-40-3
Catalog Number	AG000UNN(AGN-PC-03CRJI)
Chemical Name	6-Benzoxazolecarboxylic acid, methyl ester
IUPAC Name	methyl 1,3-benzoxazole-6-carboxylate
InChI	InChI=1S/C9H7NO3/c1-12-9(11)6-2-3-7-8(4-6)13-5-10-7/h2-5H,1H3
InChI Key	QIZBJGJDALUIEN-UHFFFAOYSA-N
MDL Number	MFCD14635902
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	COC(=O)C1=CC2=C(C=C1)N=CO2
Synonyms	1305711-40-3, Methyl benzo[d]oxazole-6-carboxylate, Methyl 6-Benzoxazolecarboxylate, methyl 1,3-benzoxazole-6-carboxylate, Methylbenzo[d]oxazole-6-carboxylate, Methyl6-Benzoxazolecarboxylate, CTK8C3691, DTXSID40615834, KS-00000BQ6, 5581AA, ANW-70411, MFCD14635902, ZINC42784449, AKOS016002473, AS-8427, TRA0076348, AM803149, SY022493, 6-Benzoxazolecarboxylic acid, methyl ester, AJ-108214, TC-159156, CS-0037045, FT-0760775, ST24025474, F10003, Z-4711, MFCD14635902 (95+%), C9H7NO3,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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