AG002OHT

2454-72-0 | Benzaldehyde, 4-hydroxy-5-methoxy-2-nitro-

AG002OHT

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CAS Number	2454-72-0
Catalog Number	AG002OHT(AGN-PC-0JNA6E)
Chemical Name	Benzaldehyde, 4-hydroxy-5-methoxy-2-nitro-
IUPAC Name	4-hydroxy-5-methoxy-2-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO5/c1-14-8-2-5(4-10)6(9(12)13)3-7(8)11/h2-4,11H,1H3
InChI Key	INFACQKUQJGVFF-UHFFFAOYSA-N
MDL Number	MFCD00034536
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
NSC Number	3043
SMILES	OC1=CC(=C(C=O)C=C1OC)[N+](=O)[O-]
Synonyms	4-hydroxy-5-methoxy-2-nitrobenzaldehyde, 2454-72-0, 6-nitrovanillin, benzaldehyde, 4-hydroxy-5-methoxy-2-nitro-, 4-hydroxy-5-methoxy-2-nitro-benzaldehyde, Benzaldehyde,4-hydroxy-5-methoxy-2-nitro-, nitro-vanillin, NSC3043, AC1Q1YBL, AC1L58QN, SCHEMBL3995715, CTK4F3876, DTXSID70277606, INFACQKUQJGVFF-UHFFFAOYSA-N, AC1Q4694, NSC-3043, ZINC1666560, MFCD00034536, AKOS001216425, MCULE-5750563469, NE26398, 2-Nitro-4-hydroxy-5-methoxybenzaldehyde, AK394100, AS-43928, FT-0764316, EN300-24100, J-515494, InChI=1/C8H7NO5/c1-14-8-2-5(4-10)6(9(12)13)3-7(8)11/h2-4,11H,1H, AR-1G2752, CID220398, 28482-91-9,

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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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