AG0004Y4

1016-58-6 | Benzenemethanol, 4,5-dimethoxy-2-nitro-

AG0004Y4

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CAS Number	1016-58-6
Catalog Number	AG0004Y4(AGN-PC-0JL6ZD)
Chemical Name	Benzenemethanol, 4,5-dimethoxy-2-nitro-
EC Number	213-806-4
IUPAC Name	(4,5-dimethoxy-2-nitrophenyl)methanol
InChI	InChI=1S/C9H11NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-4,11H,5H2,1-2H3
InChI Key	WBSCOJBVYHQOFB-UHFFFAOYSA-N
MDL Number	MFCD00014701
Molecular Formula	C9H11NO5
Molecular Weight	213.1873
SMILES	COC1=CC(CO)=C(C=C1OC)[N+]([O-])=O
Synonyms	4,5-Dimethoxy-2-nitrobenzyl alcohol, 1016-58-6, 6-Nitroveratryl alcohol, (4,5-dimethoxy-2-nitrophenyl)methanol, Benzenemethanol, 4,5-dimethoxy-2-nitro-, WBSCOJBVYHQOFB-UHFFFAOYSA-N, 2-nitro-4,5-dimethoxybenzyl alcohol, 3,4-Dimethoxy-6-nitrobenzyl alcohol, MFCD00014701, (4,5-dimethoxy-2-nitrophenyl)methan-1-ol, EINECS 213-806-4, 6-nitroveratrylalcohol, PubChem8715, AC1L24MB, SCHEMBL67755, ACMC-2097w8, CTK4A0065, ZINC56870, DTXSID50144044, BCP11712, ZX-AT016845, 4,5-dimethoxy 2-nitrobenzyl alcohol, ANW-14502, SBB009964, AKOS009116292, AS05970, CD-1172, CM13400, MCULE-9912503419, VZ27579, Benzenemethanol,4,5-dimethoxy-2-nitro-, (4,5-dimethoxy-2-nitro-phenyl)methanol, AC-26188, AJ-09485, AK-81469, AN-48324, AS-15876, CC-17316, SC-00089, ST060249, ZB001864, 4,5-Dimethoxy-2-nitrobenzyl alcohol, 98%, AB0018054, AX8011304, TR-000417, D4811, FT-0617191, ST24026241, A22392, M-2059, 016D586, C-11224, I01-5795, J-000464, InChI=1/C9H11NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-4,11H,5H2,1-2H, C9H11NO5, C9-H11-N-O5, CID66097, ZINC00056870, 4, 5-Dimethoxy-2-nitrobenzyl alcohol, ACN-026490, R214, 4,5-Dimethoxy-2-nitrobenzyl alcohol, 98% - 25G 25g,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.189g/mol
Monoisotopic Mass	213.064g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	84.5A^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
UN Code

Certificate of Analysis

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