AG00EIDG

638192-65-1 | 5-Benzoxazolecarboxaldehyde (9CI)

AG00EIDG

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CAS Number	638192-65-1
Catalog Number	AG00EIDG(AGN-PC-03OF4B)
Chemical Name	5-Benzoxazolecarboxaldehyde (9CI)
IUPAC Name	1,3-benzoxazole-5-carbaldehyde
InChI	InChI=1S/C8H5NO2/c10-4-6-1-2-8-7(3-6)9-5-11-8/h1-5H
InChI Key	NOZVUPWWWWWFEV-UHFFFAOYSA-N
MDL Number	MFCD20527251
Molecular Formula	C8H5NO2
Molecular Weight	147.1308
SMILES	O=CC1=CC2=C(OC=N2)C=C1
Synonyms	Benzo[d]oxazole-5-carbaldehyde, 638192-65-1, 5-benzoxazolecarboxaldehyde, 1,3-Benzoxazole-5-carbaldehyde, AK100253, 5-Benzoxazolecarboxaldehyde (9CI), 5-benzoxazolecarbaldehyde, benzooxazole-5-carbaldehyde, SCHEMBL6186460, CTK5B9925, DTXSID90625100, NOZVUPWWWWWFEV-UHFFFAOYSA-N, 9768AB, ANW-70412, MFCD20527251, ZINC39061641, AKOS016002472, DS-3494, FCH1418302, AJ-97817, SC-66823, AX8241217, TC-159157, 4CH-012179, CS-0030472, ST24024620, C8H5NO2, 1,3-benzoxazole-2,5-dicarbaldehyde,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.032g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.133g/mol
Monoisotopic Mass	147.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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