4,5-Dimethoxy-2-nitrobenzoic acid
Properties
- Molecular formula
- C9H9NO6
- Molar mass
- 227.17 g/mol
- Exact mass
- 227.0430 Da
- Melting point
- 187–188 °C
- logP
- 1.31Crippen estimate
- Polar surface area
- 98.9 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4998-07-6SMILES
COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCInChIKey
WWCMFGBGMJAJRX-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 4,5-dimethoxy-2-nitro-
- Veratric acid, 6-nitro-
- 6-Nitroveratric acid
- 2-Nitro-4,5-dimethoxybenzoic acid
- 3,4-Dimethoxy-6-nitrobenzoic acid
Work with 4,5-Dimethoxy-2-nitrobenzoic acid
Similar compounds
4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid60547-92-472 % similar
1-(4,5-Dimethoxy-2-nitrophenyl)ethanone4101-32-068 % similar
5-Methoxy-2-nitrobenzoic acid1882-69-567 % similar
4-Methoxy-2-nitrobenzoic acid33844-21-267 % similar
Methyl 3,4-dimethoxy-6-nitrobenzoate26791-93-566 % similar
1,2-Dimethoxy-4,5-dinitrobenzene3395-03-763 % similar
2-Methoxy-4-nitrobenzoic acid2597-56-063 % similar
3-Methoxy-4-nitrobenzoic acid5081-36-763 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.