AG001N45

15112-41-1 | 5-Benzoxazolecarboxylic acid

AG001N45

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CAS Number	15112-41-1
Catalog Number	AG001N45(AGN-PC-0259QA)
Chemical Name	5-Benzoxazolecarboxylic acid
IUPAC Name	1,3-benzoxazole-5-carboxylic acid
InChI	InChI=1S/C8H5NO3/c10-8(11)5-1-2-7-6(3-5)9-4-12-7/h1-4H,(H,10,11)
InChI Key	WJBOXEGAWJHKIM-UHFFFAOYSA-N
MDL Number	MFCD09954950
Molecular Formula	C8H5NO3
Molecular Weight	163.1302
SMILES	O1C=NC2=C1C=CC(=C2)C(=O)O
Synonyms	Benzo[d]oxazole-5-carboxylic acid, 15112-41-1, BENZOXAZOLE-5-CARBOXYLIC ACID, 1,3-BENZOXAZOLE-5-CARBOXYLIC ACID, 5-Benzoxazolecarboxylic acid, PubChem19084, Benzoxazole-5-carboxylicAcid, benzooxazol-5-carboxylic acid, SCHEMBL703854, CTK0E8406, KS-00000CLE, DTXSID50597314, WJBOXEGAWJHKIM-UHFFFAOYSA-N, 1,3-benzoxazol-5-carboxylic acid, ANW-57009, MFCD09954950, ZINC11567765, AKOS006240829, MCULE-8736492361, MP-0301, TRA0035324, AJ-59817, AK-82316, DS-16578, QC-11017, SY008172, AB0047824, DB-063881, ST2412657, TC-145754, 4CH-009425, CS-0043853, FT-0735545, Z4196, 1,3-benzoxazole-5-carboxylic acid, AldrichCPR, MFCD09954950 (95+%), I04-1541, F2191-0013, C8H5NO3, benzo[d]oxazole-5-carboxylic acid, 95% - 1G 1g,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.132g/mol
Monoisotopic Mass	163.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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