AG00341Q

84102-89-6 | 4-Formyl-3-hydroxybenzonitrile

AG00341Q

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CAS Number	84102-89-6
Catalog Number	AG00341Q(AGN-PC-0NKEEC)
Chemical Name	4-Formyl-3-hydroxybenzonitrile
IUPAC Name	4-formyl-3-hydroxybenzonitrile
InChI	InChI=1S/C8H5NO2/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3,5,11H
InChI Key	DZETWSGVBUVPMH-UHFFFAOYSA-N
MDL Number	MFCD08361770
Molecular Formula	C8H5NO2
Molecular Weight	147.1308
SMILES	C(=O)C1=C(C=C(C#N)C=C1)O
Synonyms	4-Formyl-3-hydroxybenzonitrile, 84102-89-6, Benzonitrile, 4-formyl-3-hydroxy-, 4-Cyano-2-hydroxybenzaldehyde, 4-formyl-3-hydroxy-Benzonitrile, EC-000.1788, PubChem17223, 5-Cyano-2-formylphenol, ACMC-20a8h2, BEN165, SCHEMBL2466088, CTK8B9052, DTXSID30510521, DZETWSGVBUVPMH-UHFFFAOYSA-N, KS-000000DG, 2926AC, ANW-61908, MFCD08361770, ZINC84397764, AKOS006291614, LS10079, MB06108, RP21126, RTC-062633, AC-22663, AJ-81033, AK-81980, AN-35960, BC686622, EN000135, S689, SY025920, AB1010210, TC-062633, BB 0261347, FT-0703223, MFCD08361770 (98%), 102B896, I01-9274, Q-101066, null, C8H5NO2, benzonitrile, 4-formyl-3-hydroxy- (9ci), A10115, 3816-66-8,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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