AG00EE5Y

58749-47-6 | 5-Hydroxy-4-methoxy-2-nitrobenzaldehyde

AG00EE5Y

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CAS Number	58749-47-6
Catalog Number	AG00EE5Y(AGN-PC-0JP83D)
Chemical Name	5-Hydroxy-4-methoxy-2-nitrobenzaldehyde
IUPAC Name	5-hydroxy-4-methoxy-2-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO5/c1-14-8-3-6(9(12)13)5(4-10)2-7(8)11/h2-4,11H,1H3
InChI Key	PTULGYAZUWPSQM-UHFFFAOYSA-N
MDL Number	MFCD00228444
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
NSC Number	142136
SMILES	O=CC1=CC(O)=C(OC)C=C1[N+]([O-])=O
Synonyms	5-hydroxy-4-methoxy-2-nitrobenzaldehyde, 58749-47-6, 5-Hydroxy-4-methoxy-2-nitro-benzaldehyde, benzaldehyde, 5-hydroxy-4-methoxy-2-nitro-, 3-Hydroxy-4-methoxy-6-nitro-benzaldehyde, 6-Nitroisovanillin, NSC142136, AC1Q1YRT, AC1L62RK, SCHEMBL5898860, CTK5A8813, DTXSID80301264, PTULGYAZUWPSQM-UHFFFAOYSA-N, ALBB-016129, ZX-AN014834, FCH840611, MFCD00228444, ZINC36378913, AKOS000312928, 3-hydroxy4-methoxy-6-nitrobenzaldehyde, MCULE-5839770280, NSC-142136, 2-Nitro-4-methoxy-5-hydroxybenzaldehyde, 3-hydroxy-4-methoxy-6-nitrobenzaldehyde, AJ-92713, AB0191112, AX8247158, R2699, InChI=1/C8H7NO5/c1-14-8-3-6(9(12)13)5(4-10)2-7(8)11/h2-4,11H,1H, 5-Nitroisovanillin, AR-1G8486, CID285294, ACN-031615, 5925-26-8,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.032g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.146g/mol
Monoisotopic Mass	197.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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