AG003LHT

6635-20-7 | 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde

AG003LHT

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CAS Number	6635-20-7
Catalog Number	AG003LHT(AGN-PC-0JLT1T)
Chemical Name	4-Hydroxy-3-methoxy-5-nitrobenzaldehyde
EC Number	229-633-2
IUPAC Name	4-hydroxy-3-methoxy-5-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3
InChI Key	ZEHYRTJBFMZHCY-UHFFFAOYSA-N
MDL Number	MFCD00007118
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
SMILES	O=Cc1cc(OC)c(O)c(c1)N(=O)=O
Synonyms	5-Nitrovanillin, 6635-20-7, 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde, Vanillin, 5-nitro-, Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-, 3-Methoxy-4-hydroxy-5-nitrobenzaldhyde, 3-methoxy-4-hydroxy-5-nitrobenzaldehyde, 4-hydroxy-3-methoxy-5-nitro-benzaldehyde, MFCD00007118, ZEHYRTJBFMZHCY-UHFFFAOYSA-N, 4-hydroxy-5-methoxy-3-nitrobenzaldehyde, 5-nitrovanilline, 5-nitro vanillin, EINECS 229-633-2, PubChem8206, 5-Nitrovanillin, 97%, ACMC-209nv1, EC 229-633-2, AC1L30OO, AC1Q1YO5, Oprea1_286369, KSC498A3L, SCHEMBL344482, AC1Q489D, BEN751, DTXSID2075344, CHEBI:48385, CTK3J8035, KS-00000AXJ, ZINC337547, ACN-S002787, NSC16932, NSC35352, ANW-35195, BBL023589, NSC-16932, NSC-35352, SBB023498, STK036996, AKOS000120593, AC-2596, CS-W015680, GS-3108, LS11699, MCULE-5651002621, RP25513, RTR-022467, TRA0036167, VZ27020, 4-hydroxy-3-nitro-5-methoxybenzaldehyde, 4-hydroxy-3-methoxy -5-nitrobenzaldehyde, AJ-19852, AK-30439, AN-13822, BR-30439, K083, SC-06161, SY002288, 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde #, AB0014018, DB-004005, ST2411456, TR-022467, AM20060708, FT-0620727, ST45143689, TL80090537, A-3162, MFCD00007118 (97+%), 635N207, AQ-776/40900925, W-104760, InChI=1/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H, C8H7NO5, C8-H7-N-O5, CID81134, AR-1L8126, 5-Nitrovanillin, 98% - 25G 25g, CS-M-56195, H0728, 5-O-(tert-Butyldimethylsilyl)-2,3-O-isopropylidene-D-ribonic acid gamma-lactone, 6810-42-0,

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	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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