AG019FZC

54903-15-0 | 2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carbaldehyde

AG019FZC

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CAS Number	54903-15-0
Catalog Number	AG019FZC(AGN-PC-0JQ3HS)
Chemical Name	2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carbaldehyde
IUPAC Name	2-oxo-3H-1,3-benzoxazole-6-carbaldehyde
InChI	InChI=1S/C8H5NO3/c10-4-5-1-2-6-7(3-5)12-8(11)9-6/h1-4H,(H,9,11)
InChI Key	IMJHZVCEOBDHMM-UHFFFAOYSA-N
MDL Number	MFCD17170733
Molecular Formula	C8H5NO3
Molecular Weight	163.1302
NSC Number	690679
SMILES	O=CC1=CC=C2NC(OC2=C1)=O
Synonyms	54903-15-0, 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde, JPB 26, 2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carbaldehyde, 5-Benzoxazolecarboxaldehyde, 2,3-dihydro-2-oxo-, BRN 0973141, 2-oxo-3H-1,3-benzoxazole-6-carbaldehyde, 2,3-Dihydro-2-oxo-5-benzoxazolecarboxaldehyde, NSC690679, 6-Benzoxazolecarboxaldehyde, 2,3-dihydro-2-oxo-, AC1Q6Q88, SCHEMBL3600957, CHEMBL1965228, CTK8D3027, DTXSID70203405, IMJHZVCEOBDHMM-UHFFFAOYSA-N, AC1L9257, ZINC1652427, MFCD17170733, AKOS009332458, NSC-690679, 2-Hydroxybenzo[d]oxazole-6-carboxaldehyde, LS-42145, NCI60_032568, 2-Oxo-2,3-dihydro-benzooxazole-6-carbaldehyde, C8-H5-N-O3, AR-1E4617, CID391474, 55366-25-1,

Complexity	216
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	3
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	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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