chempirical

(4-(Hydroxyimino)methyl)-2-methylbenzoic acid

C9H9NO3CAS 1437051-93-8179.17 g/mol

Open in Covalent MOL file
NHOOOH
Carboxylic acidOxime

Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
logP
1.50Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1437051-93-8
SMILES
CC1=C(C=CC(=C1)/C=N/O)C(=O)O
InChIKey
JXVSFQSFOGVVPY-BJMVGYQFSA-N
InChI
InChI=1S/C9H9NO3/c1-6-4-7(5-10-13)2-3-8(6)9(11)12/h2-5,13H,1H3,(H,11,12)/b10-5+

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with (4-(Hydroxyimino)methyl)-2-methylbenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-964 % similar 2-Methyl-1,4-benzenedicarboxylic acid5156-01-455 % similar 2,4-Dimethylbenzoic acid611-01-855 % similar 4-Hydroxy-2-methylbenzoic acid578-39-254 % similar 4-Amino-2-methylbenzoic acid2486-75-153 % similar 4-Fluoro-2-methylbenzoic acid321-21-153 % similar 4-Bromo-2-methylbenzoic acid68837-59-253 % similar 4-Chloro-2-methylbenzoic acid7499-07-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 Methyl 2-acetylpyridine-4-carboxylate138715-82-9 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 3′-Nitropropiophenone17408-16-1 3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-3-(2-nitrovinyl)benzene3179-09-7 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook