AG003JHZ

74901-29-4 | 3-Formyl-4-hydroxybenzonitrile

AG003JHZ

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CAS Number	74901-29-4
Catalog Number	AG003JHZ(AGN-PC-00G729)
Chemical Name	3-Formyl-4-hydroxybenzonitrile
IUPAC Name	3-formyl-4-hydroxybenzonitrile
InChI	InChI=1S/C8H5NO2/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,11H
InChI Key	PHIANFGZFLCRDV-UHFFFAOYSA-N
MDL Number	MFCD09839541
Molecular Formula	C8H5NO2
Molecular Weight	147.1308
SMILES	OC1=C(C=O)C=C(C=C1)C#N
Synonyms	3-formyl-4-hydroxybenzonitrile, 74901-29-4, 3-formyl-4-hydroxy-benzonitrile, 5-CYANOSALICYLALDEHYDE, 5-Cyano-2-hydroxybenzaldehyde, 3-FORMYL-4-HYDROXY BENZONITRILE, AK-68280, W-203717, 5-cyano-salicylaldehyde, PubChem17451, 4-Cyano-2-hydroxyphenol, 2-Hydroxy-5-cyanobenzaldehyde, BEN161, SCHEMBL1405179, CTK2H6967, DTXSID10472739, Benzonitrile,3-formyl-4-hydroxy-, PHIANFGZFLCRDV-UHFFFAOYSA-N, BCP24361, ZX-AT014138, 1646AC, ANW-57574, CF-755, FCH874612, FD7349, MFCD09839541, ZINC95917760, 3-FORMYL-4-HYDROXYBENZONITRIL, AKOS006329002, AM82960, AS06313, CM10229, CS-W003664, MB07859, OR61136, TRA0066421, VZ26904, AJ-78303, AN-36984, BC250774, EN000134, SC-65902, SY026395, 3-methanoyl-4-oxidanyl-benzenecarbonitrile, BENZONITRILE, 3-FORMYL-4-HYDROXY-, AX8087044, DB-000568, TC-146319, TL8005146, 4CH-023716, BB 0257477, FT-0657178, ST24042194, Z-3649, MFCD09839541 (97+%), 901F294, A838258, C8H5NO2, CID11789350, Benzonitrile, 3-formyl-4-hydroxy- (9CI), 2 inverted exclamation mark -Cyano-2,2,2-trifluoroacetophenone Hydrate,

Complexity	194
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	1
Isotope Atom Count	0
Molecular Weight	147.133g/mol
Monoisotopic Mass	147.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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