AG003MYD

59985-82-9 | 5-phenylisoxazole-3-carbaldehyde

AG003MYD

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CAS Number	59985-82-9
Catalog Number	AG003MYD(AGN-PC-0LX8YX)
Chemical Name	5-phenylisoxazole-3-carbaldehyde
IUPAC Name	5-phenyl-1,2-oxazole-3-carbaldehyde
InChI	InChI=1S/C10H7NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-7H
InChI Key	QRHAQXZGSWFBOK-UHFFFAOYSA-N
MDL Number	MFCD06798102
Molecular Formula	C10H7NO2
Molecular Weight	173.1681
SMILES	O=CC1=NOC(=C1)C1=CC=CC=C1
Synonyms	5-phenylisoxazole-3-carbaldehyde, 59985-82-9, 5-phenyl-1,2-oxazole-3-carbaldehyde, AC1OGPP1, ACMC-20a9p1, SCHEMBL189929, CTK5B0796, DTXSID50428295, QRHAQXZGSWFBOK-UHFFFAOYSA-N, 5-Phenylisoxazole-3-carboxaldehyde, ZINC4291235, ZX-AN012734, ZX-AT016530, 3-Isoxazolecarboxaldehyde,5-phenyl-, ANW-63491, KM0362, MFCD06798102, SBB073329, STL414834, 3-Isoxazolecarboxaldehyde, 5-phenyl-, AKOS005169213, FCH1119845, GS-5468, MCULE-8458741933, RP02798, 5-Phenylisoxazole-3-carboxaldehyde, 97%, AJ-50368, AK-80338, AX8105258, TC-152236, BB 0262070, CS-0060506, FT-0683801, ST45256011, Y9583, KS-00002626, EN300-232417, J-517922, I14-27264, C10H7NO2, ZINC04291235, CID7172305,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.048g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.171g/mol
Monoisotopic Mass	173.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319-H334-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P342+P311
UN Code

Certificate of Analysis

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